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Application of Binding Free Energy Calculations to Prediction of Binding Modes and Affinities of MDM2 and MDMX Inhibitors., , , and . Journal of Chemical Information and Modeling, 52 (7): 1821-1832 (2012)CHARMM: The biomolecular simulation program., , , , , , , , , and 25 other author(s). J. Comput. Chem., 30 (10): 1545-1614 (2009)Spontaneous curvature generation by peptides in asymmetric bilayers., , , and . J. Comput. Chem., 45 (9): 512-522 (April 2024)CHARMM-GUI-Based Induced Fit Docking Workflow to Generate Reliable Protein-Ligand Binding Modes., and . J. Chem. Inf. Model., 63 (15): 4772-4779 (August 2023)CHARMM-GUI Free Energy Calculator for Practical Ligand Binding Free Energy Simulations with AMBER., , , , , , and . J. Chem. Inf. Model., 61 (9): 4145-4151 (2021)CHARMM-GUI Supports Hydrogen Mass Repartitioning and Different Protonation States of Phosphates in Lipopolysaccharides., , , , , , , , , and . J. Chem. Inf. Model., 61 (2): 831-839 (2021)Implementation and application of helix-helix distance and crossing angle restraint potentials., and . J. Comput. Chem., 28 (3): 669-680 (2007)Novel free energy calculations to explore mechanisms and energetics of membrane protein structure and function., , , and . J. Comput. Chem., 30 (11): 1622-1633 (2009)Application of torsion angle molecular dynamics for efficient sampling of protein conformations., , and . J. Comput. Chem., 26 (15): 1565-1578 (2005)Generalized born model with a simple smoothing function., , and . J. Comput. Chem., 24 (14): 1691-1702 (2003)