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Binding of human ACE2 and RBD of Omicron enhanced by unique interaction patterns among SARS-CoV-2 variants of concern.

S. Kim, Y. Liu, M. Ziarnik, S. Seo, Y. Cao, X. Zhang, и W. Im. J. Comput. Chem., 44 (4): 594-601 (февраля 2023)

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Bak Im

Hyun Im

Hyoungjin Im

Chan Im

Hermann Im Brahm

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Application of Binding Free Energy Calculations to Prediction of Binding Modes and Affinities of MDM2 and MDMX Inhibitors.H. Lee, S. Jo, H. Lim, и W. Im. Journal of Chemical Information and Modeling, 52 (7): 1821-1832 (2012)Implementation and application of helix-helix distance and crossing angle restraint potentials.J. Lee, и W. Im. J. Comput. Chem., 28 (3): 669-680 (2007)Spontaneous curvature generation by peptides in asymmetric bilayers.S. Park, A. Rice, W. Im, и R. Pastor. J. Comput. Chem., 45 (9): 512-522 (апреля 2024)CHARMM: The biomolecular simulation program.B. Brooks, C. III, A. Jr., L. Nilsson, R. Petrella, B. Roux, Y. Won, G. Archontis, C. Bartels, S. Boresch и 25 other автор(ы). J. Comput. Chem., 30 (10): 1545-1614 (2009)CHARMM-GUI-Based Induced Fit Docking Workflow to Generate Reliable Protein-Ligand Binding Modes.H. Guterres, и W. Im. J. Chem. Inf. Model., 63 (15): 4772-4779 (августа 2023)CHARMM-GUI Supports Hydrogen Mass Repartitioning and Different Protonation States of Phosphates in Lipopolysaccharides.Y. Gao, J. Lee, I. Smith, H. Lee, S. Kim, Y. Qi, J. Klauda, G. Widmalm, S. Khalid, и W. Im. J. Chem. Inf. Model., 61 (2): 831-839 (2021)CHARMM-GUI Free Energy Calculator for Practical Ligand Binding Free Energy Simulations with AMBER.H. Zhang, S. Kim, T. Giese, T. Lee, J. Lee, D. York, и W. Im. J. Chem. Inf. Model., 61 (9): 4145-4151 (2021)Generalized born model with a simple smoothing function.W. Im, M. Lee, и C. III. J. Comput. Chem., 24 (14): 1691-1702 (2003)Application of torsion angle molecular dynamics for efficient sampling of protein conformations.J. Chen, W. Im, и C. III. J. Comput. Chem., 26 (15): 1565-1578 (2005)Novel free energy calculations to explore mechanisms and energetics of membrane protein structure and function.W. Im, J. Lee, T. Kim, и H. Rui. J. Comput. Chem., 30 (11): 1622-1633 (2009)

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