Click HERE to link out to Dr. Woods' MyNCBI Bibliography. RECENT PUBLICATIONS 2024 Cisar, J.O., Wang, X., Woods, R.J., Cain, K.D., Wiens, G.D. (2024). Structural and Genetic Basis for the Binding of a Mouse Monoclonal Antibody to Flavobacterium psychrophilum Lipopolysaccharide. J. Fish Dis. Jun 4:e13958. PMID: 38837770 Associated Personnel: Robert J. Woods, Xiaocong Wang Zhang, W., Meredith, R.J., Wang, X., Woods, R.J., Carmichael, I., Serianni, A.S. (2024). Does Inter-Residue Hydrogen Bonding in β‑(1→4)-Linked Disaccharides Influence Linkage Conformation in Aqueous Solution? J. Phys. Chem. B. 128 (10), 2317–2325. PMID: 38482666 Associated Personnel: Robert J. Woods, Xiaocong Wang Chernykh, A., Abrahams, J.L., Grant, O.C., Kambanis, L., Sumer-Bayraktar, Z., Ugonotti, J., Kawahara, R., Corcilius, L., Payne, R.J., Woods, R.J., Thaysen-Andersen, M. (2024). Position-specific N- and O-glycosylation of the reactive center loop impacts neutrophil elastase–mediated proteolysis of corticosteroid-binding globulin. J. Biol. Chem., 300(1), 105519. PMCID: PMC10784704 Associated Personnel: Robert J. Woods 2023 de Haan, N., Song, M., Grant, O., Ye, Z., Khoder, A., Fawzi; Aasted, M. K. M., Woods, R.J., Vakhrushev, S., Wandall, H. (2023). Sensitive and Specific Global Cell Surface N-Glycoproteomics Shows Profound Differences Between Glycosylation Sites and Subcellular Components. Anal. Chem. 2023, 95, 47, 17328–17336. PMCID: PMC10688226 Associated Personnel: Oliver C. Grant, Robert J. Woods Tang M., Suraweera A., Nie X., Li Z., Lai P., Wells J.W., O'Byrne K.J., Woods R.J., Bolderson E., Richard D.J. (2023). Mono-phosphorylation at Ser4 of barrier-to-autointegration factor (Banf1) significantly reduces its DNA binding capability by inducing critical changes in its local conformation and DNA binding surface. Phys Chem Chem Phys. Sep 20;25 (36), 24657-24677. PMID: 37665626 Associated Personnel: Robert J. Woods Meredith, R.J., Carmichael, I., Woods, R.J., Serianni, A.S. (2023). MA’AT Analysis: Probability Distributions of Molecular Torsion Angles in Solution from NMR Spectroscopy. Acc. Chem. Res., 56 (17), 2313-2328. PMID: 37566472 Associated Personnel: Yao Xiao, Robert J. Woods Xiao, Y. & Woods, R.J. (2023). Protein–Ligand CH−π Interactions: Structural Informatics, Energy Function Development, and Docking Implementation. J. Chem. Theory Comput. PMCID: PMC10448718 Associated Personnel: Robert J. Woods Saunders, M.J., Woods, R.J., Yang, L. (2023). Simplifying the detection and monitoring of protein glycosylation during in vitro glycoengineering. Sci. Rep. 13 567. DOI: PMCID: PMC9834283 Associated Personnel: Robert J. Woods Lewis, A.P., Toukach,P., Bolton, E., Chen, X., Frank, M., Lütteke, T., Knirel, Y., Schoenhofen, I., Varki, A., Vinogradov, E. Woods, R.J., Zachara, N., Zhang, J., Kamerling, J.P., Neelamegham, S. the SNFG Discussion Group (2023). Cataloging natural sialic acids and other nonulosonic acids (NulOs), and their representation using the Symbol Nomenclature for Glycans. Glycobiology, Mar 6;33(2):99-103. PMCID: PMC9990982 Associated Personnel: Robert J. Woods 2022 Wang, X., Hanes, M.S., Cummings, R.D., Woods,R.J. (2022). Computationally-guided Conversion of the Specificity of E-Selectin to Mimic that of Siglec-8. PNAS. 119 (4) e2117743119. PMCID: PMC9564326 Associated Personnel: Robert J. Woods, Xiaocong Wang Berardinelli, S.J., Eletsky, A., Valero-González, J., Ito, A., Manjunath, R., Hurtado-Guerrero, R., Prestegard, J.H., Woods, R.J., Haltiwanger, R.S. (2022). O-fucosylation stabilizes the TSR3 motif in thrombospondin-1 by interacting with nearby amino acids and protecting a disulfide bond. J. Biol. Chem., 298 (6): 102047. PMCID: PMC9198472 Associated Personnel: Robert J. Woods 2021 Smith, C.C., Olsen, K.S., Gentry, K.M., Sambade, M., Beck, W., Garness, J., Entwistle, S., Willis, C., Vensko, S., Woods, A., Fini, M., Carpenter, B., Routh, E., Kodysh, J., O'Donnell, T., Haber, C., Heiss, K., Stadler, V., Garrison, E., Sandor, A.M., Ting, J.P.Y., Weiss, J., Krajewski, K., Grant, O.C., Woods, R.J., Heise, M., Vincent, B.G., Rubinsteyn, A. (2021). Landscape and selection of vaccine epitopes in SARS-CoV-2. Genome Med., 13 (1):101. PMCID: PMC8201469. Associated Personnel: Robert J. Woods, Oliver Grant French, A.D., Montgomery, D.W., Prevost, N.T., Edwards, J.V., Woods, R.J. (2021) Comparison of cellooligosaccharide conformations in complexes with proteins with energy maps for cellobiose. Carbohydr. Polym. 264, 118004-118004. PMCID: PMC8607818 Associated Personnel: Robert J. Woods, David W. Montgomery Jain, P., Shathamurthy, C.D., Ben-Arye, S.L., Woods, R.J., Kikkeri, R., Padler-Karavani, V. (2021) Discovery of rare sulfated N-unsubstituted glucosamine based heparan sulfate analogs selectively activating chemokines. Chem. Sci., 12, 3674-3681. PMCID: PMC8607818 Associated Personnel: Robert J. Woods Benicky, J., Sanda, M., Brnakova Kennedy, Z., Grant, O.C., Woods, R.J., Zwart, A., & Goldman, R. (2021). PD-L1 Glycosylation and Its Impact on Binding to Clinical Antibodies. J. Proteome Res., 20(1), 485-497. PMID: 33073996 Associated Personnel: Robert J. Woods, Oliver Grant 2020 Meredith, R.J., Woods, R.J., Carmichael, I., & Serianni, A.S. (2020). Reconciling MA′AT and molecular dynamics models of linkage conformation in oligosaccharides. Phys. Chem. Chem. Phys., 22 (26), 14454-14457. PMCID: PMC8224179 Associated Personnel: Robert J. Woods Overeem, N.J., Hamming, P.H.E., Grant, O.C., Di Iorio, D., Tieke, M., Bertolino, M. C., Li, Z., Vos, G., de Vries, R.P., Woods, R.J., Tito, N. ., Boons, G.-J.P.H., van der Vries, E. Huskens, J. (2020). Hierarchical Multivalent Effects Control Influenza Host Specificity. ACS Cent. Sci., 6 (12), 2311-2318. PMCID: PMC7760459 Associated Personnel: Robert J. Woods, Oliver Grant Tjondro, H.C., Ugonotti, J., Kawahara, R., Chatterjee, S., Loke, I., Chen, S., Soltermann, F., Hinneburg, J., Parker, B. L., Venatakrishnan, V., Dieckmann, R., Grant, O.C., Bylund, J., Rodger, A., Woods, R.J., Karlsson-Bengtsson, A., Struwe, W. B., Thaysen-Andersen, M. (2020). Hyper-truncated Asn355- and Asn391-glycans modulate the activity of neutrophil granule myeloperoxidase. J. Biol. Chem., 296, 100144. PMCID: PMC7857493 Associated Personnel: Robert J. Woods, Oliver Grant Smith, C.C., Entwistle, S., Willis, C., Vensko, S., Beck, W., Garness, J., Sambade, M., Routh, E., Olsen, K., Kodysh, J., O'Donnell, T., Haber, C., Heiss, K., Stadler, V., Garrison, E., Grant, O.C., Woods, R.J., Heise, M., Vincent, B.G., & Rubinsteyn, A. (2020). Landscape and Selection of Vaccine Epitopes in SARS-CoV-2. bioRxiv, 2020.06.04.135004. PMCID: PMC7302209 Associated Personnel: Robert J. Woods, Oliver Grant Olson, L.J., Misra, S.K., Ishihara, M. Battaile, K. P., Grant, O.C., Sood, A., Woods, R. J., Kim, J.-J. P., Tiemeyer, M., Ren, G. Sharp, J. S., Dahms, N. M. (2020) Allosteric regulation of lysosomal enzyme recognition by the cation-independent mannose 6-phosphate receptor. Commun. Biol. 3, 498. PMCID: PMC7481795 Associated Personnel: Robert J. Woods, Oliver Grant, Amika Sood Zhao, P., Praissman, J.L., Grant, O.C., Cai, Y., Xiao, T., Rosenbalm, K.E., Aoki, K., Kellman, B.P., Bridger, R., Barouch, D.H., Brindley, M.A., Lewis, N.E., Tiemeyer, M., Chen, B., Woods, R.J., Wells, L. (2020). Virus-receptor interactions of glycosylated SARS-CoV-2 spike and human ACE2 receptor. Cell Host Microbe, 28 (4), 586-601. PMCID: PMC7386495 Associated Personnel: Robert J. Woods, Oliver Grant Kim, S.Y., Jin, W., Sood, A., Montgomery, D.W., Grant, O.C., Fuster, M.M., Fu, L., Dordick, J.S., Woods, R.J., Zhang, F., Linhardt, R.J. (2020). Characterization of heparin and severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) spike glycoprotein binding interactions. Antiviral research, 181, 104873. PMCID: PMC7347485 Associated Personnel: Robert J. Woods, Amika Sood, David W. Montgomery, Oliver Grant York, W. S., Mazumder, R., Ranzinger, R., Edwards, N., Kahsay, R., Aoki-Kinoshita, K. F., Campbell M.P.,Cummings, R.D., Feizi, T., Martin, M., Natale, D.A., Packer, N.H., Woods, R.J., Agarwal, G., Arpinar, S., Bhat, S., Blake, J., Castro, L.J.G., Fochtman, Gildersleeve. J., Goldman, R., Holmes, X., Jain, V., K., Kulkarni, S., Mahadik, R., Mehta, A., Mousavi, R., Nakarakommula, S., Navelkar, R., Pattabiraman, N., Perce, M.J., Ross, K., Vasudev, P., Vora, J., Williamson, T., & Zhang, W. (2020). GlyGen: Computational and informatics resources for glycoscience. Glycobiology, 30(2), 72-73. PMCID: PMC7335483 Associated Personnel: Robert J. Woods Tang, M., Wang, X., Gandhi, N. S., Foley, B. L., Burrage, K., Woods, R. J., & Gu, Y. (2020). Effect of Hydroxylysine-O-glycosylation on the structure of type I collagen molecule: A computational study. Glycobiology. PMCID: PMC7526737 Associated Personnel: Robert J. Woods, Xiaocong Wang, Lachele Foley Mandalasi, M., Kim, H. W., Thieker, D., Sheikh, M. O., Gas-Pascual, E., Rahman, K., Zhao, P., Daniel, N.G., Wel, H.V.D., Ichikawa, H.T., Glushka,J.N., Wells, L., Woods, R.J., Wood, Z.A., & West, C. M. (2020). A terminal α3-galactose modification regulates an E3 ubiquitin ligase subunit in Toxoplasma gondii. J. Biol. Chem., JBC-RA120. PMCID: PMC7335778 Associated Personnel: Robert J. Woods, David Thieker Flowers, S. A., Grant, O. C., Woods, R. J., & Rebeck, G. W. (2020). O-glycosylation on cerebrospinal fluid and plasma apolipoprotein E differs in the lipid-binding domain. Glycobiology, 30(2), 74-85. PMCID: PMC7335482 Associated Personnel: Robert J. Woods, Oliver Grant Amon, R., Rosenfeld, R., Perlmutter, S., Grant, O.C., Yehuda, S., Borenstein-Katz, A., Alcalay, R., Marshanski, T., Yu, H., Diskin, R., Woods, R.J., Chen, X., Padler-Karavani, V. (2020) “Directed Evolution of Therapeutic Antibodies Targeting Glycosylation in Cancer”, Cancers, 12, 2824 PMCID: PMC7601599 Associated Personnel: Robert J. Woods, Oliver Grant Grant, O.C., Montgomery, D., Ito, K., Woods, R.J. (2020) “Analysis of the SARS-CoV-2 spike protein glycan shield reveals implications for immune recognition”, Sci. Rep. 10, 14991 PMCID: PMC7217288 Associated Personnel: Robert J. Woods, Oliver Grant, David W. Montgomery, Keigo Ito PREVIOUS WORKS 2019 Neelamegham S., Aoki-Kinoshita, K., Bolton, E., Frank, M., Lisacek, F., Lütteke, T., O'Boyle, N., Packer, N.H., Stanley, P., Toukach, P., Varki, A., Woods, R.J.; SNFG Discussion Group. (2019) Updates to the Symbol Nomenclature for Glycans guidelines. Glycobiology. 29 (9): 620-624. PMCID: PMC7335484 Associated Personnel: Robert J. Woods Zhang, W., Meredith, R., Pan, Q., Wang, X., Woods, R.J., Carmichael, I., Serianni, A.S. (2019) “Use of Circular Statistics To Model αMan-(1→2)-αMan and αMan-(1→3)-α/βMan O-Glycosidic Linkage Conformation in 13C-Labeled Disaccharides and High-Mannose Oligosaccharides”, Biochemistry, 58 (6): 546-560. PMID: 30605318 Associated Personnel: Robert J. Woods, Xiaocong Wang Chalmers, G.R., Eletsky, A., Morris, L.C., Yang, J.-Y., Fang, T., Woods, R.J., Moremen, K.W., Prestegard, J.H. (2019) “NMR Resonance Assignment Methodology: Characterizing Large Sparsely Labeled Glycoproteins” J. Mol. Biol. 431 (12): 2369-2382 PMCID: PMC6554063 Associated Personnel: Robert J. Woods Singh, A., Montgomery, D., Xingran, X., Foley, B.L., Woods, R.J. (2019) “GAG Builder: A Web-tool for Modeling 3D Structures of Glycosaminoglycans”, Glycobiology, cwz027, PMCID: PMC6583769 Associated Personnel: Robert J. Woods, Arunima Singh, David Montgomery, Xue Xingran, Lachele Foley Zhang, W., Meredith, R., Yoon, M.-K., Wang, X., Woods, R.J., Carmichael, I., Serianni, A.S. (2019) “Synthesis and O-Glycosidic Linkage Conformational Analysis of 13C-Labeled Oligosaccharide Fragments of an Antifreeze Glycolipid”, J. Org. Chem., 84 (4): 1706-1724 PMCID: PMC8224223 Associated Personnel: Robert J. Woods, Xiaocong Wang Nemanichvili N., Tomris I., Turner H.L., McBride R., Grant O.C., van der Woude R., Aldosari M.H., Pieters R.J., Woods R.J., Paulson J.C., Boons G.J., Ward A.B., Verheije M.H., de Vries R.P. (2019) “Fluorescent Trimeric Hemagglutinins Reveal Multivalent Receptor Binding Properties”, J. Mol. Biol., 431 (4): 842-856 PMCID: PMC6397626 Associated Personnel: Robert J. Woods, Oliver Grant 2018 Nemanichvili N., Tomris I., Turner H.L., McBride R., Grant O.C., van der Woude R., Aldosari M.H., Pieters R.J., Woods R.J., Paulson J.C., Boons G.J., Ward A.B., Verheije M.H., de Vries R.P. (2018) “Fluorescent Trimeric Hemagglutinins Reveal Multivalent Receptor Binding Properties”, J. Mol. Biol. 431(4): 842-856. PMCID: PMC6397626 Associated Personnel: Robert J. Woods De Leoz, M.L., Simon-Manso, Y., Woods, R.J., Stein, S.E. (2018) “Cross-Ring Fragmentation Patterns in the Tandem Mass Spectra of Underivatized Sialylated Oligosaccharides and Their Special Suitability for Spectrum Library Searching”, J. Am. Soc. Mass Spectrom. 30 (3): 426-438 PMCID: PMC6416239 Associated Personnel: Robert J. Woods Woods, R.J., (2018) Predicting the Structures of Glycans, Glycoproteins, and Their Complexes. [Special Issue – Carbohydrate Chemistry] Chemical Reviews. 118 (17): 8005-8024. PMCID: PMC6659753 Associated Personnel: Robert J. Woods Nielsen, I.M., Stegmayr, J., Grant, O.C., Yang, Z., Nilsson, U.J., Boos, I., Carlsson, M.C., Woods, R.J., Unverzaqt, C., Leffler, H., Wandall, H.H. (2018) “Galectin binding to cells and glycoproteins with genetically modified glycosylation reveals galectin-glycan specificities in a natural context”, J. Biol. Chem., PMCID: PMC6311502 Associated Personnel: Robert J. Woods Sood, A., Gerlits, O., Ji, Y, Bovin, N., Coates, L., Woods, R.J. (2018) "Defining the specificity of carbohydrate-protein interactions by quantifying functional group contributions", J. Chem. Inf. Model., 58 (9): 1889-1901. PMCID: PMC6442460 Associated Personnel: Robert J. Woods Ferreira, R.-C., Grant, O.C., Moyo, T., Dorfman, J., Woods, R.J., Travers, S., Wood, N. (2018) “Structural Rearrangements Maintain the Glycan Shield of an HIV-1 Envelope Trimer After the Loss of a Glycan”, Sci. Rep., 8 (1): 15031. PMCID: PMC6177452 Associated Personnel: Robert J. Woods Thieker, D.F., Xu, Y., Digantkumar, C., Nora, C., Hong, Q., Felix, T., Wang, L., Moremen, K.W., Liu, J., Esko, J.D., Woods, R.J. (2018) “Downstream Products are Potent Inhibitors of the Heparan Sulfate 2-O-Sulfotransferase”, Sci. Rep., 8: 11832. PMCID: PMC6081452 Associated Personnel: Robert J. Woods Zhao, Y., Yang, J.Y., Thieker, D.F., Xu, Y., Zong, C., Boons, G.-J., Liu, J., Woods, R.J., Moremen, K.W., Amster, I.J. (2018) “A Traveling Wave Ion Mobility Spectrometry (TWIMS) Study of the Robo1-Heparan Sulfate Interaction”, J. Am. Soc. Mass. Spectrom., 29 (6): 1153-1165. PMCID: PMC6004239 Associated Personnel: Robert J. Woods Amon, R., Grant, O.C., Ben-Arye, S.L., Makeneni, S., Nivedha, A.K., Marshanski, T., Norn, C., Yu, J., Glushka, J.N., Fleishman, S.J., Chen, X., Woods, R.J., Padler-Karavani, V. (2018) “A Combined Computational-experimental Approach to Define the Structural Origin of Antibody Recognition of Sialyl-Tn, a Tumor-associated Carbohydrate Antigen”, Nat. Biotechnol. Sci. Rep., 8: 10786, 1-12. PMCID: PMC6050261 Associated Personnel: Robert J. Woods Peng, W., Bouwman, K., McBride, R., Grant, O.C., Woods, R.J., Verheije, M., Paulson, J., de Vries, R. (2018) “Enhanced Human-Type Receptor Binding by Ferret-Transmissible H5N1 with a K193T Mutation”, J. Virology, 92 (10): e02016-17. PMCID: PMC5923085 Associated Personnel: Robert J. Woods Makeneni, S., Thieker, D.F., Woods, R.J. (2018) “Applying Pose Clustering and MD Simulations to Eliminate False Positives in Molecular Docking”, J. Chem. Inf. Model., 58 (3): 605-614. PMCID: PMC6067002 Associated Personnel: Robert J. Woods Pikoula M., Tessier, M.B., Woods, R.J., Ventikos, Y. (2018) “Oligosaccharide model of the vascular endothelial glycocalyx in physiological flow”, Microfluid Nanofluidics (2018) 22: 21 PMCID: PMC5847235 Associated Personnel: Robert J. Woods 2017 Sheikh, M.O., Thieker, D.F., Chalmers, G., Schafer, C.M., Ishihara, M., Azadi, P., Woods, R.J, Glushka, J.N., Bendiak, B., Prestegard, J.H., West, C.M. (2017) “O2 Sensing Associated Glycosylation Exposes the F-box Combining Site of the Dictyostelium Skp1 Subunit in E3 Ubiquitin Ligases”, J. Biol. Chem., 292 (46):18897-18915. PMCID: PMC5704474 Associated Personnel: Robert J. Woods Gerlits, O.O., Coates, L., Woods, R.J, Kovalevsky, A. (2017) “Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A as Revealed by Neutron Crystallography”, Biochemistry, 56 (36): 4747-4750. PMCID: PMC5754002 Associated Personnel: Robert J. Woods Ji, Y., White, Y.J., Hadden, J.A, Grant, O.C., Woods, R.J (2017) “New Insights into Influenza A Specificity: An Evolution of Paradigms”, Curr Opin Struct Biol., 44: 219-231. PMCID: PMC5715462 Associated Personnel: Robert J. Woods Xie, B., Sood, Woods, R.J, A., Sharp, J.S. (2017) “Quantitative Protein Topography Measurements by High Resolution Hydroxyl Radical Protein Footprinting Enable Accurate Molecular Model Selection”, Sci. Rep., 7: 4552. PMCID: PMC5495787 Associated Personnel: Robert J. Woods de Vries, R.P., Peng, W., Grant, O., Thompson, A., Zhu, X., Bouwman, K., Torrents de la Peña, A., van Breemen, M., Ambepitiya, I., de Haan, C., Yu, W., McBride, R., Sanders, R., Woods, R.J, Verheije, M., Wilson, I., Paulson, J. (2017) “Three mutations switch H7N9 influenza to human-type receptor specificity”, PLoS Pathog., 13 (6): e1006390. PMCID: PMC5472306 Associated Personnel: Robert J. Woods Zhang, W., Turney, T., Meredith, R., Pan, Q., Sernau, L., Wang, X., Hu, X., Woods, R.J., Carmichael, I., Serianni, A. (2017) “Conformational Populations of β-(1→4) O-Glycosidic Linkages Using Redundant NMR J-Couplings and Circular Statistics”, J. Phys. Chem. B., 121 (14): 3042-3058. PMCID: PMC5553453 Associated Personnel: Robert J. Woods Wang, Z., Hsieh, P-H, Xu, Y., Thieker, D.F., Chai, E., Xie, S., Cooley, B, Woods, R.J., Chi, L., Liu, J. (2017) “Synthesis of 3-O-Sulfated Oligosaccharides to Understand the Relationship between Structures and Functions of Heparan Sulfate”, J. Am. Chem. Soc., 139 (14): 5249-5256. PMCID: PMC5624809 Associated Personnel: Robert J. Woods Zhao, Y., Singh, A., Xu, Y., Zong, C., Zhang, F., Boons, G., Liu, J., Linhardt, R., Woods, R.J., Amster, I.J. (2017) “Gas-Phase Analysis of the Complex of Fibroblast Growth Factor 1 with Heparan Sulfate: A Traveling Wave Ion Mobility Spectrometry (TWIMS) and Molecular Modeling Study”, JASMS, 28 (1): 96-109. PMCID: PMC5177502 Associated Personnel: Robert J. Woods Li, X, Grant, O.C., Ito, K., Wallace, A., Wang, S., Zhao, P., Wells, L., Lu, S., Woods, R.J., Sharp, J. (2017) "Structural Analysis of Glycosylated Intact HIV-1 gp120-b12 Antibody Complex using Hydroxyl Radical Protein Footprinting", Biochemistry., 56 (7): 957-970. PMCID: PMC5319886 Associated Personnel: Robert J. Woods Yu, J., Grant, O.C., Pett, C., Strahl, S., Woods, R.J., Westerlind, U. (2017) “Induction of Antibodies Directed Against Branched Core O-Mannosyl Glycopeptides – Selectivity Complimentary to the ConA Lectin”, Chemistry, 23 (14): 3466-3473. PMCID: PMC5548291 Associated Personnel: Robert J. Woods Peng, W., de Vries, R. P., Grant, O.C., Thompson, A.J., Mcbridge, R., Tsogtbaatar, B., Lee, P.S., Razi, N., Wilson, I.A., Woods, R.J., Paulson, J.C. (2017) “Recent H3N2 Viruses Have Evolved Specificity for Extended, Branched Human-type Receptors, Conferring Potential for Increased Avidity”, Cell Host Microbe, 21 (1): 23-24. PMCID: PMC5233592 Associated Personnel: Robert J. Woods Hopper, J., Ambrose, A., Grant, O.C., Krumm, S., Allison, T., Degiacomi, M.T., Tully, M., Pritchard, L., Ozorowski, G., Ward, A., Crispin, M., Doores, K., Woods, R.J, Benesch, J., Robinson, C.V., Struwe, W.B. (2017) “The Tetrameric Plant Lectin BanLec Neutralizes HIV through Bidentate Binding to Specific Viral Glycans”, Structure, 25 (5): 773-782. PMCID: PMC5556678 Associated Personnel: Robert J. Woods 2016 Thieker, D.F., Hadden, J.A., Schulten, K., Woods, R.J (2016) “3D Implementation of the Symbol Nomenclature for Graphical Representation of Glycans”, Glycobiology, 26 (8): 786-787. PMCID: PMC5018049 Associated Personnel: Robert J. Woods Turney, T., Pan, Q., Sernau, L., Carmichael, I., Zhang, W., Wang, X., Woods, R.J, Serianni, A.S. (2016) “O-Acetyl Side-Chains in Monosaccharides: Redundant NMR Spin-Couplings and Statistical Models for Acetate Ester Conformational Analysis”, J. Phys. Chem. B, 121 (1): 66-77. PMCID: PMC5556682 Associated Personnel: Robert J. Woods Grant, O.C., Xue, X., Rahbarania, D., Khatamian, A., Foley, B.L., Woods, R.J (2016) “Gly-Spec: a webtool for predicting glycan specificity by integrating glycan array screening data and 3D structure”, Glycobiology, 26 (10): 1027-1028. PMCID: PMC5072150 Associated Personnel: Robert J. Woods Hsieh, P., Thieker, D., Guerinni, M., Woods, R.J, Liu J. (2016) “Uncovering the Relationship between Sulphation Patterns and Conformation of Iduronic Acid in Heparan Sulphate”, Sci. Rep., 6: 29602. PMCID: PMC4944151 Associated Personnel: Robert J. Woods Sumer-Bayraktar, Z., Grant, O.C., Venkatkrishnan, V., Woods, R.J, Packer, N.H., Thaysen-Andersen, M. (2016) “Asn347-Glycosylation of Corticosteroid Binding Globulin Fine-Tunes the Host Immune Response by Modulating Proteolysis by P. aeruginosa and Neutrophil Elastase”, J. Biol. Chem., 291 (34): 17727-17742. PMCID: PMC5016167 Associated Personnel: Robert J. Woods Khatri, K., Klein, J.A., White, M.R., Grant, O.C., Leymarie, N., Woods, R.J, Hartshorn, K.L., Zaia, J. (2016) “Integrated Omics and Computational Glycobiology Reveal Structural Basis for Influenza A Virus Glycan Microheterogeneity and Host Interactions”, Mol. Cell. Proteomics, 15 (6): 1895-1912. PMCID: PMC5083086 Associated Personnel: Robert J. Woods Hsu, C.-H., Park, S., Mortenson, D., Foley, B.L., Wang, X., Woods, R.J, Case, D., Powers, E., Wong, C.-H., Dyson, H.J., Kelly, J. (2016) "The Dependence of Carbohydrate–Aromatic Interaction Strengths on the Structure of the Carbohydrate ", J. Am. Chem. Soc., 138 (24): 7636-7648. PMCID: PMC4924591 Associated Personnel: Robert J. Woods Wang, X. and Woods, R.J (2016) "Insights into Furanose Solution Conformations: Beyond the Two-State Model", J. Biomol. NMR, 64 (4): 291-305. PMCID: PMC5115177 Associated Personnel: Robert J. Woods Chalmers, G., Glushka, J.N., Foley, B.L., Woods, R.J, Prestegard, J.H. (2016) “Direct NOE simulation from long MD trajectories”, J. Magn. Reson., 265, 1-9. PMCID: PMC4818662 Associated Personnel: Robert J. Woods 2015 Grant, O. C., Tessier, M.B., Meche, L., Mahal, L.K., Foley, B.L., Woods, R.J (2015) “Combining 3D Structure with Glycan Array Data Provides Insight into the Origin of Glycan Specificity”, Glycobiology, 26 (7): 772-783. PMCID: PMC4976521 Associated Personnel: Robert J. Woods Singh, A., Tessier, M. B., Pederson, K., Wang, X., Venot A., Boons, G.J., Prestegard, J.H., Woods, R.J (2016) "Extension and validation of the GLYCAM force field parameters for modeling glycosaminoglycans”, Can. J. Chem., 94 (11): 927-935 PMCID: PMC5464424 Associated Personnel: Robert J. Woods Zhao, Y., Singh, A., Li, L., Xu, Y., Woods, R.J, Amster, I.J. (2015) “Investigating changes in the gas-phase conformation of Antithrombin III upon binding of Arixtra using traveling wave ion mobility spectrometry (TWIMS)”, Analyst., 140 (20): 6980-6989. PMCID: PMC4586392 Associated Personnel: Robert J. Woods Nivedha, A., Thieker, D., Makeneni, S., Hu. H., Woods, R.J (2015) “Vina-Carb: Improving Glycosidic Angles During Carbohydrate Docking”, J. Chem. Theor. Comput., 12 (2): 892-901. PMCID: PMC5140039. Associated Personnel: Robert J. Woods Singh, A., Kett, W.C., Severin, I.C., Agyekum, I., Duan, J., Amster, I.J., Proudfoot, A.E.I., Coombe, D.R., Woods, R.J (2015) “The Interaction of Heparin Tetrasaccharides with Chemokine CCL5 is Modulated by Sulfation Pattern and pH”, J. Biol. Chem., 290 (25): 15421-15436. PMCID: PMC4505458 Associated Personnel: Robert J. Woods Hang, I., Lin, C., Grant, O.C., Fleurkens, S., Villiger, T.K., Soos, M., Morbidelli, M., Woods, R.J., Gauss, R., Aebi, M. (2015) “Analysis of site-specific N-glycan remodeling in the endoplasmic reticulum and the Golgi”, Glycobiology, 25 (12): 1335-1349. PMCID: PMC4634314 Associated Personnel: Robert J. Woods Krishanmurthy, V., Sardar, S., Ying, Y., Song, X., Haller, C., Dai, E., Wang, X., Hanjaya-Putra, D., Sun, L., Morikis, V., Simon, S., Woods, R.J, R. Cummings, Chaikof, E. (2015) ”Glycopeptide Analogues of PSGL-1 Inhibit P-Selectin In Vitro and In Vivo”, Nature Communications, 6: Article 6387. PMCID: PMC4423566 Associated Personnel: Robert J. Woods 2014 Queiroz, I., Wang, X., Glushka, J., Santos, G., Valente, A.P., Prestegard, J., Woods, R.J, Mourao, P., Pomin, V. (2014) “Impact of sulfation pattern on the conformation and dynamics of sulfated fucan oligosaccharides as revealed by NMR and MD”, Glycobiology, 25: 535-547. PMCID: PMC4373396 Associated Personnel: Robert J. Woods Ng, S., Lin, E., P.I. Kitov, P.I., Tjhung, K.F., Gerlits, O.O., Deng, L., Kasper, B., Sood, A., Paschal, B.M., Zang, P., Ling, C., Klassen, J.S., Noren, C.J., Mahal, Woods, R.J, L.K., Coates, L., Derda, R. (2014) “Genetically-Encoded Fragment-based Discovery of Glycopeptide ligands for Carbohydrate-binding Proteins”, J. Am. Chem. Soc., 137, (16): 5248-51. PMCID: PMC5553193 Associated Personnel: Robert J. Woods Panagos, C.G., Thomson, D.S., Moss, C., Hughes, A.D., Kelly, M.S., Liu, Y., Chai, W., Venkatasamy, R., Spina, D., Page, C.P., Hogwood, J., Woods, R.J, Mulloy, B., Bavington, C.D., Uhrin, D. (2014) “Fucosylated Chondroitin Sulfates from the Body Wall of the Sea Cucumber Holothuria Forskali. Conformation, Selectin Binding and Biological Activity”, J. Biol. Chem., 289 (41): 28284-28298. PMCID: PMC4192483 Associated Personnel: Robert J. Woods Makeneni, S., Foley, B.F., Woods, R.J (2014) “BFMP: A Method for Discretizing and Visualizing Pyranose Conformations”, J. Chem Inf. Model., 54 (10): 2744-2750. PMCID: PMC4210171 Associated Personnel: Robert J. Woods Lak, P., Makeneni, S., Woods, R.J, Lowary, T.L. (2014) “Specificity of Furanoside–Protein Recognition through Antibody Engineering and Molecular Modeling”, Chem. Eur. J., 21 (3): 1-12. PMCID: PMC4286510 Associated Personnel: Robert J. Woods Grant, O.C. and Woods, R.J (2014) “Recent Advances in Employing Molecular Modelling to Determine the Specificity of Glycan-binding Proteins”, Curr. Opin. Struct. Biol., 28 (0): 47-55. PMCID: PMC4252743 Associated Personnel: Robert J. Woods Makeneni, S., Ji, Y., Watson, D.C., Young, N.M., Woods, R.J (2014) “Predicting the origins of anti-blood group antibody specificity: A case study of the ABO A- and B-antigens”, Front. Immunol. – Immunotherapies and Vaccines, 5: 397-408. PMCID: PMC4141161 Associated Personnel: Robert J. Woods Poor, T.A., Jones, L.M., Sood, A., Leser, G.P., Plasencia, M.D., Rempel, D.L., Jardetzky, T.S., Woods, R.J, Gross, M.L., Lamb, R.A. (2014) “Probing the paramyxovirus fusion (F) protein-refolding event from pre- to postfusion by oxidative footprinting”, PNAS, 111 (25): E2596-2605. PMCID: PMC407885 Associated Personnel: Robert J. Woods 2013 Meng L., Forouhar, F., Thieker, D., Gao, Z., Ramiah, A., Moniz, H., Xiang, Y., Seetharaman, J., Milaninia, S., Su, M., Bridger, R., Veillon, L., Azadi, P., Kornhaber, G., Wells, L., Montelione, G.T., Woods, R.J, Tong, L., Moremen, K.W. (2013) “Enzymatic Basis for N-glycan Sialylation: Structure of Rat α2,6-sialyltransferase (ST6GAL1) Reveals Conserved and Unique Features for Glycan Sialylation”, J. Biol. Chem., 288 (48): 34680-34698. PMCID: PMC3843080 Associated Personnel: Robert J. Woods Siriwardena, A., Pulukuri, K.K., Kandiyal, P.S., Roy, S., Bande, O., Ghosh, S., Fernández, J.M.G., Martin, F.A., Ghigo, J.-M., Beloin, C., Ito, K., Woods, R.J, Ampapathi, R.S., Chakraborty. T.K. (2013) “Sugar-Modified Foldamers as Conformationally Defined and Biologically Distinct Glycopeptide Mimics”, Angew. Chem., 125 (39): 10411-10416. PMCID: PMC4167674 Associated Personnel: Robert J. Woods Wood, N.T., Fadda, E., Davis, R., Grant, O.C., Martin, J.C., Woods, R.J, Travers, S.A. (2013) “The Influence of N-Linked Glycans on the Molecular Dynamics of the HIV-1 gp120 V3 Loop”, PLoS One, 8 (11): e80301. PMCID: PMC3841175 Associated Personnel: Robert J. Woods Martin, J.C., Fadda, E., Ito, K., Woods, R.J (2013) “Defining the Structural Origin of the Substrate Sequence Independence of O-GlcNAcase Using a Combination of Molecular Docking and Dynamics Simulation”, Glycobiology, 24 (1): 85-96. PMCID: PMC3854502 Associated Personnel: Robert J. Woods Grant, O.C., Smith, H.M., Firsova, D., Fadda, E., Woods, R.J (2013) “Presentation, Presentation, Presentation! Molecular Level Insight into Linker Effects on Glycan Array Screening Data”, Glycobiology, 24, 17-25. PMCID: PMC3854501 Associated Personnel: Robert J. Woods Nivedha, A.K., Makeneni, S., Foley, B.L., Tessier, M.B., Woods, R.J (2013) “The Importance of Ligand Conformational Energies in Carbohydrate Docking: Sorting the Wheat from the Chaff”, J. Comput. Chem., 35 (7): 526–539. PMCID: PMC3936473 Associated Personnel: Robert J. Woods Hadden, J.A., French, A.D., Woods, R.J (2013) “Effect of microfibril twisting on theoretical powder diffraction patterns of cellulose Iβ”, Cellulose, 21, (2): 879-884. PMCID: PMC3979627 Associated Personnel: Robert J. Woods Fadda, E. and Woods, R.J (2013) “Contribution of the empirical dispersion correction on the conformation of short alanine peptides obtained by gas-phase QM calculations”, Can. J. Chem., 91, 1-7. PMCID: PMC4239032 Associated Personnel: Robert J. Woods Hadden, J.A., French, A.D., Woods, R.J (2013) “Unraveling cellulose microfibrils: A twisted tale”, Biopolymers, 99 (10): 746-756. PMCID: PMC3936462 Associated Personnel: Robert J. Woods Tessier, M.B., Grant, O.C., Heimburg-Molinaro, J., Smith, D., Jadey, S., Gulick, A.M., Glushka, J., Deutscher, S.L., K. Rittenhouse-Olson, Woods, R.J (2013) “Computational Screening of the Human TF-Glycome Provides a Structural Definition for the Specificity of Anti-Tumor Antibody JAA-F11”, PLoS ONE 8 (2): e54874. PMCID: PMC3554700 Associated Personnel: Robert J. Woods 2012 Davies, L.R.L., Pearce, O.M.T., Tessier, M.B., Assar, S., Smutova, V., Pajunen, M., Sumida, M., Sato, C., Kitajima, K., Finne, J., Gagneux, P., Pshezhetsky, A., Woods, R.J, Varki., A. (2012) “Metabolism of Vertebrate Amino Sugars with N-glycolyl Groups: Resistance of α2-8-linked N-glycolylneuraminic Acid to Enzymatic Cleavage”, J. Biol. Chem., 287 (34): 28917-28931. PMCID: PMC3436535 Associated Personnel: Robert J. Woods Sattelle, B., Bose-Basu, B., Tessier, M.B., Woods, R.J, Serianni, A.S., Almond. A. (2012) “Dependence of Pyranose Ring Puckering on Anomeric Configuration: Methyl Idopyranosides”, J. Phys. Chem. B, 116 (22): 6380–6386. PMCID: PMC3377936 Associated Personnel: Robert J. Woods Johnson, M.A., Cartmell, J., Weisser, N.E., Woods, R.J, Bundle., D.R. (2012) “Molecular Recognition of Candida albicans (1→2)-β-mannan Oligosaccharides by a Protective Monoclonal Antibody Reveals the Immunodominance of Internal Saccharide Residues”, J. Biol. Chem., 287 (22): 18078–18090. PMCID: PMC3365708 Associated Personnel: Robert J. Woods 2011 Ficko-Blean, E., Stuart, C., Suits, M., Cid, M.,Tessier, M.B., Woods, R.J., A. Boraston. (2011) “Carbohydrate recognition by an architecturally complex α-N-Acetylglucosaminidase from Clostridium perfringens”, PLoS ONE, 7 (3): e33524. PMCID: PMC3313936 Associated Personnel: Robert J. Woods Foley, B.F., Tessier, M., Woods, R.J. (2011) “Carbohydrate Force Fields”, WIREs Comput. Mol. Sci., 2, 1–46. PMCID: PMC4270206 Associated Personnel: Robert J. Woods DeMarco, M.L. and Woods, R.J. (2011) “From Agonist to Antagonist: Structure and Dynamics of Innate Immune Glycoprotein MD-2 upon Recognition of Variably Acylated Bacterial Endotoxins”, Mol. Immunol., 49 (1-2): 124-133. PMCID: PMC3252744 Associated Personnel: Robert J. Woods Fadda, E. and Woods, R.J. (2011) “On the role of water models in quantifying the standard binding free energy of highly conserved water molecules in proteins: the case of Concanavalin”, A. J. Comput. Theor. Chem., 7 (10): 3391–3398. PMID: 26598169 Associated Personnel: Robert J. Woods Kadirvelraj, R., Grant, O.C., Goldstein, I.J., Winter, H.C., Tateno, H., Fadda, E., Woods, R.J. (2011) “Structure and Binding Analysis of Polyporus squamosus Lectin in Complex with the Neu5Acα2-6Galβ1-4GlcNAc Human-type Influenza Receptor”, Glycobiology, 21 (7): 973-984. PMCID: PMC3110490 Associated Personnel: Robert J. Woods Ju, R., Tessier, M., Olliff, L., Woods, R.J., Summers, A., Geng. Y. (2011) “Supramolecular Dendrimer Capsules by Cooperative Binding”, Chem. Comm., 47 (1): 268-270. PMCID: PMC4011388 Associated Personnel: Robert J. Woods 2010 Fadda, E. and Woods, R.J. (2010) “Molecular Simulations of Carbohydrates and Protein-carbohydrate Interactions: Motivation, Issues and Prospects”, Drug Disc. Today, 15 (0): 596-609. PMCID: PMC3936463 Associated Personnel: Robert J. Woods 53. Woods, R.J. and Tessier. M.B. (2010) “Computational Glycoscience: Characterizing the Spatial and Temporal Properties of Glycans and Glycan—Protein Complexes”, Curr. Opin. Struct. Biol., 20: 1-9. PMCID: PMC3936461 Associated Personnel: Robert J. Woods 2009 DeMarco, M.L., Woods, R.J., Prestegard, J., Tian., F. (2009) “Presentation of Membrane-Anchored Glycosphingolipids Determined from Molecular Dynamics Simulations and NMR Paramagnetic Relaxation Rate Enhancement”, J. Am. Chem. Soc., 132 (4): 1344-1388. PMCID: PMC2824572 Associated Personnel: Robert J. Woods Watson, C., Janik, I., Zhuang, T., Charvátová, O., Woods, R.J., Sharp., J. (2009) “Pulsed Electron Beam Water Radiolysis for Sub-microsecond Hydroxyl Radical Protein Footprinting”, Analytical Chemistry, 81 (7): 2496–2505. PMCID: PMC2733211 Associated Personnel: Robert J. Woods DeMarco, M.L. and Woods, R.J. (2009) “Atomic-resolution Conformational Analysis of the GM3 Ganglioside in a Lipid Bilayer, and Its Implications for Ganglioside-protein Recognition at Membrane Surfaces”, Glycobiology, 19 (4): 344–355. PMCID: PMC2733776 Associated Personnel: Robert J. Woods 2008 Kadirvelraj, R., Foley, B.L., Dyekjær, J.D., Woods, R.J. (2008) “Involvement of Water in Carbohydrate-Protein Binding: Concanavalin A Revisited”, J. Am. Chem. Soc., 130 (50): 16933–16942. PMCID: PMC2626182 Associated Personnel: Robert J. Woods Yongye, A.B., Gonzalez-Outeriño, J., Glushka, J., Schutlheis, V., Woods, R.J. (2008) “The Conformational Properties of Methyl a-(2,8)- di/trisialoside. Implications for anti-Neisseria meningitidis Vaccine Design”, Biochemistry, 47 (47): 12493–12514. PMCID: PMC2957299 Associated Personnel: Robert J. Woods Charvatova, O., Foley, B.L., Bern, M., Sharp, J., Orlando, R., Woods, R.J. (2008) “Quantifying Protein Interface Footprinting by Hydroxyl Radical Oxidation and Molecular Dynamics Simulation: Application to Galectin-1”, J. Am. Soc. Mass Spectrom., 19 (11): 1692-1705. PMCID: PMC2607067 Associated Personnel: Robert J. Woods DeMarco, M.L. and Woods, R.J. (2008) “Structural Glycobiology: A Game of Snakes and Ladders”, (Invited Review) Glycobiology, 18 (6): 426-440. PMCID: PMC4203483 Associated Personnel: Robert J. Woods Yongye, A.B., Foley, B.L., Woods, R.J. (2008) “On Achieving Experimental Accuracy from Molecular Dynamics Simulations of Flexible Molecules: Aqueous Glycerol”, J. Phys. Chem. A, 112 (12): 2634 -2639. PMCID: PMC4201037 Associated Personnel: Robert J. Woods Seo, M., Castillo, N., Ganzynkowicz, R., Daniels, C.R., Roy, P.-N., Woods, R.J., Lowary, T.L. (2008) “An Approach for the Simulation and Modeling of Flexible Rings. Application to the α-D-arabinofuranoside Ring, a Key Constituent of Polysaccharides from Mycobacterium tuberculosis”, J. Chem. Theory Comput., 4 (1): 184-191. PMCID: PMC4203666 Associated Personnel: Robert J. Woods Kirschner, K.N., Yongye, A.B., Tschampel, S.M., Gonzalez-Outeriño, J., Daniels, C.R., Foley, B.L., Woods, R.J. (2008) “GLYCAM06: A Generalizable Biomolecular Force Field. Carbohydrates”, J. Comput. Chem., 29: 622-655. PMCID: PMC4423547 Associated Personnel: Robert J. Woods Tessier, M.B., DeMarco, M.L., Yongye, A.B., Woods, R.J. (2008) “Extension of the GLYCAM06 Biomolecular Force Field to Lipids, Lipid Bilayers and Glycolipids”, Molecular Simulation, 34 (34): 349-364. PMCID: PMC3256582 Associated Personnel: Robert J. Woods 2007 Pedatella, S., De Nisco, M., Ernst, B., Guaragna, A., Wagner, B., Woods, R.J., Palumbo, G. (2007) “New Sialyl Lewisx Mimic Containing an α-Substituted β3-Amino Acid Spacer”, Carb. Res., 343 (1): 31-38. PMCID: PMC4203482 Associated Personnel: Robert J. Woods Tschampel, S. M., Kennerty, M.R., Woods, R.J. (2007) “A TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations”, J. Chem. Theory Comput., 3 (5): 1721-1733. PMCID: PMC4240008 Associated Personnel: Robert J. Woods Seyfried, N. T., Atwood, J.A. III, Yongye, A., Almond, A., Day, A.J., Orlando., R., Woods, R.J. (2007) “Fourier Transform Mass Spectrometry to Monitor Hyaluronan–protein Interactions: Use of Hydrogen/deuterium Amide Exchange”, Rapid Commun. Mass Spectrom., 21 (2): 121-131. PMCID: PMC4189122 Associated Personnel: Robert J. Woods Elking, D., Darden, T., Woods, R.J. (2007) “Gaussian Induced Dipole Polarization Model”, J.Comput. Chem., 28 (7): 1261-1274. PMCID: PMC2176076 Associated Personnel: Robert J. Woods 2006 Kadirvelraj, R., Beckham, M.L., Ford, M.G., Gonzalez Outeriño, J., Jennings, H.J., Foote, S., Woods, R.J. (2006) “Understanding the Bacterial Polysaccharide Antigenicity of Streptococcus agalactiae Versus Streptococcus pneumoniae”, Proc. Natl. Acad. Sci. USA, 103 (21): 8149-8154. doi: 10.1073/pnas.0602815103 Associated Personnel: Robert J. Woods Kawatkar, S.P., Kuntz, D.A., Woods, R.J., Rose, D.R., Boons, G.-J. (2006) “Structural Basis of the Inhibition of golgi α-mannosidase II by mannostatin A and the Role of the Thiomethyl Moiety in Ligand-protein Interactions”, J. Am. Chem. Soc., 128 (25): 8310-8319. PMCID: PMC2553320 Associated Personnel: Robert J. Woods Gonzalez-Outeiriño, J., Kirschner, K.N., Thobhani, S., Woods, R.J. (2006) “Reconciling Solvent Effects on Rotamer Populations in Carbohydrates: A Joint MD and NMR Analysis”, Can. J. Chem., 84 (4): 569-579. PMCID: PMC4276422 Associated Personnel: Robert J. Woods 2005 Case, D.A., Cheatham, T., Darden, T., Gohlke, H., Luo, R., Merz, K.H. Jr., Onufriev, A., Simmerling, C., Wang, B., Woods, R.J. (2005) “The AMBER Biomolecular Simulation Programs”, J. Comput. Chem., 26 (16): 1668-1688. PMCID: PMC1989667 Associated Personnel: Robert J. Woods Gonzalez-Outeriño, J., Kadirvelraj, R., Woods, R.J. (2005) “Structural Elucidation of Type III Group B Streptococcus Capsular Polysaccharide Using Molecular Dynamics Simulations: The Role of Sialic Acid”, Carbohydr. Res., 340, 1007-1018. doi:10.1016/j.carres.2004.12.034 Associated Personnel: Robert J. Woods 32. Li, B., Kawatkar, S., George, S., Strachan, H., Woods, R.J., Siriwardena, A., Moremen, K.W., Boons G.-J. (2005) “Inhibition of Golgi mannosidase II with mannostatin A Analogues: Synthesis, Biological Evaluation, and Structure Activity Relationship Studies”, Chembiochem, 5 (9): 1220-1227. DOI: 10.1002/cbic.200300842 Associated Personnel: Robert J. Woods 2004 Bosques, C., Tschampel, S.M., Woods, R.J., Imperiali, B. (2004) “Effects of Glycosylation on Peptide Conformation: A Synergistic Experimental and Computational Study”, J. Am. Chem. Soc., 126 (127): 8421-8425. PMCID: PMC1386730 Associated Personnel: Robert J. Woods Gonzalez Outeriño, J., Glushka, J., Siriwardena, A., Woods, R.J. (2004) “The Structure and Conformational Behavior of Sulfonium Salt Glycosidase Inhibitors in Solution: A Combined Quantum Mechanical-NMR Approach”, J. Am. Chem. Soc., 126 (22): 6866-6867. PMCID: PMC1386731 Associated Personnel: Robert J. Woods Corzana, F., Motawia, M.S., Hervé du Penhoat, C., Perez, S., Tschampel, Woods, R.J., S.M., Engelsen., S.B. (2004) “A Hydration Study of (1-4) and (1-6) Linked α-glucans by Comparative 10 ns Molecular Dynamics Simulations and 500 MHz NMR”, J. Comput. Chem., 25 (4): 573-586. PMCID: PMC4201036 Associated Personnel: Robert J. Woods 2003 Tschampel, S.M. and Woods, R.J. (2003) “Quantifying the Role of Water in Protein-ligand Interactions”, J. Phys. Chem. A, 107 (43): 9175-9181. PMCID: PMC1538976 Associated Personnel: Robert J. Woods 27. Ford, M.G., Weimar, T., Köhli, T., Woods, R.J. (2003) “MD Simulations of Galectin-1 -- Oligosaccharide Complexes Reveal the Molecular Basis for Ligand Diversity”, Proteins: Structure, Function and Genetics, 53 (2): 229-240. PMCID: PMC4190840 Associated Personnel: Robert J. Woods 2002 Tempel, W., Tschampel, S., Woods, R.J. (2002) “The Xenograft Antigen Bound to Griffonia simplicifolia Isolectin 1-B4: X-ray Crystal Structure of the Complex and Molecular Dynamics Characterization of the Binding Site”, J. Biol. Chem., 277 (7): 6615-6621. PMCID: PMC1386728 Associated Personnel: Robert J. Woods 2001 Tempel, W., Lipscomb, L.A., Rose, J.P., Woods, R.J. (2001) “The Xenograft Antigen in Complex with a GS-1-B4 Lectin: Crystallization and Preliminary X-ray Analysis”, Acta Crystallog., D57: 1639-1642. PMCID: PMC4190837 Associated Personnel: Robert J. Woods Clarke, C., Gluska, J., Cooper, A., Nutley, M.A., Boons., G.-J. Woods, R.J. (2001) “The Involvement of Water in Carbohydrate-protein Binding”, J. Am. Chem. Soc., 123 (49): 12238-12247. PMCID: PMC2626182 Associated Personnel: Robert J. Woods Kirschner, K. and Woods, R.J. (2001) “Solvent Interactions Determine Carbohydrate Conformation”, Proc. Natl. Acad. Sci. USA, 98 (19): 10541-10545. PMCID: PMC58501 Associated Personnel: Robert J. Woods Basma, M., Sundara, S., Calgan, D., Varnali, T. Woods, R.J. (2001) “Solvated Ensemble Averaging in the Calculation of Partial Atomic Charges”, J. Comput. Chem., 22 (11): 1125-1137. PMCID: PMC1986576 Associated Personnel: Robert J. Woods Bukowski, R., Morris, L., Woods, R.J., Weimar., T. (2001) “Synthesis and Conformational Analysis of the T-antigen Disaccharide”, Eur. J. Org. Chem., 2001 (11): 2697-2705. DOI: 10.1002/1099-0690(200107)2001 Associated Personnel: Robert J. Woods Kirschner, K.N. and Woods, R.J. (2001) “A Quantum Mechanical Study of the Non-bonded Forces in Water-methanol Complexes”, J. Phys. Chem. A, 105 (16): 4150-4155. DOI: 10.1021/jp004413y Associated Personnel: Robert J. Woods 2000 Chappelle., R. and Woods, R.J. (2000) “RESP-partial Charges for Condensed Phase MD Simulations”, J. Mol.Struct. (THEOCHEM)., 527 (1-3): 149-156. PMCID: PMC4191892 Associated Personnel: Robert J. Woods Pathiaseril, A. and Woods, R.J. (2000) “Relative Energies of Binding for Antibody Carbohydrate-antigen Complexes Computed from Free Energy Simulations”, J. Am. Chem. Soc., 122 (2): 331-338. PMCID: PMC1764640 Associated Personnel: Robert J. Woods 1998 Woods, R.J., Pathiaseril, A., Wormald, M.R., Edge, C.J., Dwek., R.A. (1998) “The High Degree of Internal Flexibility Observed for an Oligomannose Oligosaccharide does not Alter the Overall Topology of the Molecule”, Eur. J. Biochem., 258 (2): 372-386. PMID: 9874202 Associated Personnel: Robert J. Woods Woods, R.J. (1998) “Computational Carbohydrate Chemistry: What Theoretical Methods Can Tell Us”, Glycoconj. J., 15 (3): 209-216. PMCID: PMC4201040 Associated Personnel: Robert J. Woods 1997 Brisson, J.-R., Uhrinova, S., Woods, R.J., Van der Zwan, M., Jarrell, H.C., Paoletti, L.C., Kasper, D.L., Jennings., H.J. (1997) “NMR and Molecular Dynamics Studies of the Conformational Epitope of the Type-III Group-B Streptococcus Capsular Polysaccharide and Derivatives.”, Biochemistry, 36 (11): 3278-3292. PMID: 9116006 Associated Personnel: Robert J. Woods 1995 Woods, R.J. (1995) “3-Dimensional Structures of Oligosaccharides”, Curr. Opin. Struct. Biol., 5 (5): 591-598. PMID: 8574693 Associated Personnel: Robert J. Woods Rudd, P.M., Woods, R.J., Wormald, M.R., Opdenakker, G., Downing, A.K., Campbell, I.D., Dwek., R.A. (1995) “The Effects of Variable Glycosylation on the Functional Activities of Ribonuclease, Plasminogen and Tissue Plasminogen Activator”, Biochim. Biophys. Acta, 1248 (1): 1-10. PMID: 7711052 Associated Personnel: Robert J. Woods Woods, R.J., Dwek, R.A., Edge, C.J., Fraser-Reid., B. (1995) “Molecular Mechanical and Molecular Dynamical Simulations of Glycoproteins and Oligosaccharides. 1. GLYCAM_93 Parameter Development.”, J. Phys. Chem., 99 (11): 3832-3846. DOI: 10.1021/j100011a061 Associated Personnel: Robert J. Woods 1994 Woods, R.J., C.J. Edge, C.J., Dwek., R.A. (1994) “Protein Surface Oligosaccharides and Protein Function”, Nature, Struct. Biol., 1 (8): 499-501. PMID: 7664073 Associated Personnel: Robert J. Woods 1993 Edge, C.J., H.C. Joao, H.C., Woods, R.J., Wormald., M.R. (1993) “The Conformational Effects of N-linked Glycosylation.”, Biochem. Soc. Trans., 21, 452-455. DOI: 10.1042/bst0210452 Associated Personnel: Robert J. Woods 1992 Woods, R.J., Andrews, C.W., Bowen., J.P (1992) “A Molecular Mechanical Investigation of the Properties of Oxocarbenium Ions. II. Application to Glycoside Hydrolysis”, J. Am. Chem. Soc., 114 (3): 859-864. DOI: 10.1021/ja00029a008 Associated Personnel: Robert J. Woods Woods, R.J., Andrews, C.W., Bowen., J.P (1992) “A Molecular Mechanical Investigation of the Properties of Oxocarbenium Ions I. Parameter Development”, J. Am. Chem. Soc., 114 (3): 850-858. DOI: 10.1021/ja00029a008 Associated Personnel: Robert J. Woods 1991 Woods, R.J., Szarek, W.A., Smith, V.H. Jr. (1991) “A Comparison of the Semiempirical and ab initio Methods for the Study of Structural Features of Relevance in Carbohydrate Chemistry”, J. Chem. Soc., Chem. Commun., 0, 334-337. DOI: 10.1039/C39910000334 Associated Personnel: Robert J. Woods Woods, R.J., W.A. Szarek, W.A., Smith, V.H. Jr. (1991) “The Proton Affinities and Deprotonation Enthalpies of β-d-fructopyraonse and α-l-sorbopyranose: An Examination Using the Semiempirical Molecular Orbital Method, AM1”, Can. J. Chem., 69 (12): 1917-1928. DOI: 10.1139/v91-277 Associated Personnel: Robert J. Woods Khalil, M., Woods, R.J., Weaver, D.F., Smith, V.H. Jr. (1991) “An Examination of Intermolecular and Intramolecular Hydrogen Bonding in Biomolecules by AM1 and MNDO/M Semiempirical Methodologies”, J. Comput. Chem., 12 (5): 584-593. DOI: 10.1002/jcc.540120508 Associated Personnel: Robert J. Woods 1990 Woods, R.J., Szarek, W.A., Smith, V.H. Jr. (1990) “An Investigation of the Relationship Between Sweetness and Intra-molecular Hydrogen-bonding Networks in Hexuloses Using the Semi-empirical Molecular Orbital Method, AM1”, J. Am. Chem. Soc., 112 (12): 4732-4741. DOI: 10.1021/ja00168a018 Associated Personnel: Robert J. Woods Woods, R.J., Khalil, M., Pell, W., Moffat, S.H., Smith, V.H. Jr. (1990) “Derivation of Net Atomic Charges from Molecular Electrostatic Potentials”, J. Comput. Chem., 11 (3): 297-310. DOI: 10.1002/jcc.540110304 Associated Personnel: Robert J. Woods 1989 Woods, R.J., Watson, K.A., Fortier, S., Szarek, W.A. (1989) The Conformation of 6-thio-β-d-fructopyranose in the Crystalline State”, Carbohydrate Res., 193, 1-7. doi:10.1016/0008-6215(89)85102-X Associated Personnel: Robert J. Woods 1987 Woods, R.J., Smith, V.H. Jr., Szarek, W.A., Farazdel, A. (1987) “Ab initio LCAO-MO Calculations on α-d-glucopyranose, β-d-fructopyranose, and their Thiopyranoid-ring Analogues. Application to a Theory of Sweetness”, J. Chem. Soc., Chem. Commun., 12: 937-939. DOI: 10.1039/C39870000937 Associated Personnel: Robert J. Woods
