Faculty News Singh, C.; Lee, H.; Tian, Y.; Bartra, S.S.; Hower, S.; Fujimoto, L.M.; Yao, Y.; Ivanov, S.A.; Shaikhutdinova, R.Z.; Asinimov, A.P.; Plano, G.V.; Im, W. and Marassi, F.M. "Mutually Constructive Roles of Ail and LPS in Yersinia pestis Serum Survival" Mol. Microbiol. 2020, 114, 3, 510-520. Suppahia, A.; Itagi, P.; Burris, A.; Kim, F.M.G.; Vontz, A.; Kante, A.; Kim, S.; Im, W.; Deeds, E. and Roelofs, J. "Cooperativity in Proteasome Core Particle Maturation" iScience 2020, 23, 5,101090 . Patel, D.S.; Morales, P.; Widmalm, G. and Im, W. "Escherichia coli O176 LPS Structure and Dynamics: A NMR Spectroscopy and MD Simulation Study" Curr. Res. Struct. Biol. 2020, 2, 79-88. Ongwae, G.; Morrison, K.; Allen, R.; Kim, S.; Im, W.; Wuest, W. and Pires, M. "Broadening Activity of Polymyxin by Quaternary Ammonium Grafting" ACS Infect. Dis. 2020, 6, 6, 1427-1435. Guterres, H. and Im, W. "Improvement of Protein-Ligand Docking Results Using High-Throughput Molecular Dynamics Simulations " J. Chem. Inf. Model. 2020, 60, 4, 2189-2198. Cao, Y.; Park, S-J.; Mehta, A.Y.; Cummings, R.D. and Im, W. "GlyMDB: Glycan Microarray Database and Analysis Toolset" Bioinformatics 2020, 36, 8, 2438-2442. Im, W. and Khalid, S. "Molecular Simulations of Bacterial Membranes Come of Age" Annu. Rev. Phys. Chem. 2020, 71, 171-188 . Gao, Y.; Lee, J.; Widmalm, G. and Im, W. "Preferred Conformations of Lipopolysaccharides and Oligosaccharides of Moraxella catarrhalis" Glycobiology 2020, 30, 2, 86–94. Qi, Y.; Lee, J.; Cheng, X.; Shen, R.; Islam, S.M.; Roux, B. and Im, W. "CHARMM-GUI DEER Facilitator for Spin-pair Distance Distribution Calculations and Preparation of Restrained-Ensemble Molecular Dynamics Simulations" J. Comput. Chem. 2020, 41, 5, 415–420. Nawrocki, G.; Im, W.; Sugita, Y. and Feig, M. "Clustering and Dynamics of Crowded Proteins near Membranes and Their Influence on Membrane Bending" Proc. Natl. Acad. Sci. USA 2019, 116, 49, 24562-24567. Park, S.; Yeom, M.S.; Andersen, O.S.; Pastor, R.W. and Im, W. "Quantitative Characterization of Protein-Lipid Interactions by Free Energy Simulation Between Binary Bilayers. J. Chem. Theory Comput. 2019, 15, 11, 6491-6503. Guterres, H.; Lee, H.S. and Im, W. "Ligand Binding Site Structure Refinement Using Molecular Dynamics with Restraints Derived from Predicted Binding Site Templates" J. Chem. Theory Comput. 2019, 15, 11, 6524-6535. Dong, C.; Kania, S.; Morabito, M.; Zhang, X.F.; Im, W.; Oztekin, A.; Cheng, X. and Webb III, E.B. "A Mechano-Reactive CoarseGrained Model of the Blood Clotting Agent von Willebrand Factor" J. Chem. Phys. 2019, 151, 12, 124905 (2019). Department of Chemistry · Page 11 Wonpil Im (Cont'd) Dong, C.; Kern, N.R.; Anderson, K.R.; Zhang, X.F.; Miwa, J.M. and Im, W. "Dynamics and Interactions of GPI-Linked Lynx1 Protein with/without Nicotinic Acetylcholine Receptor in Membrane Bilayers" J. Phys. Chem. B. 2020, 124, 20, 4017-4025 [cover].
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