Author of the publication

CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules.

, , , , , and . J. Comput. Chem., 38 (21): 1879-1886 (2017)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Implementation and application of helix-helix distance and crossing angle restraint potentials., and . J. Comput. Chem., 28 (3): 669-680 (2007)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-GUI Supports Hydrogen Mass Repartitioning and Different Protonation States of Phosphates in Lipopolysaccharides., , , , , , , , , and . J. Chem. Inf. Model., 61 (2): 831-839 (2021)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-Based Induced Fit Docking Workflow to Generate Reliable Protein-Ligand Binding Modes., and . J. Chem. Inf. Model., 63 (15): 4772-4779 (August 2023)Spontaneous curvature generation by peptides in asymmetric bilayers., , , and . J. Comput. Chem., 45 (9): 512-522 (April 2024)CHARMM: The biomolecular simulation program., , , , , , , , , and 25 other author(s). J. Comput. Chem., 30 (10): 1545-1614 (2009)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)