FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules - Kumar - 2020 - Journal of Computational Chemistry - Wiley Online Library
Full article: Free energy perturbation calculations of tetrahydroquinolines complexed to the first bromodomain of BRD4
MM/GBSA prediction of relative binding affinities of carbonic anhydrase inhibitors: effect of atomic charges and comparison with Autodock4Zn | Journal of Computer-Aided Molecular Design
CHARMM General Force Field (CGenFF) — SilcsBio User Guide
Supporting Information
Validation of the Generalized Force Fields GAFF, CGenFF, OPLS-AA, and PRODRGFF by Testing Against Experimental Osmotic Coefficient Data for Small Drug-Like Molecules | Journal of Chemical Information and Modeling
Frontiers | Relative binding free energy calculations with transformato: A molecular dynamics engine-independent tool
Protein-ligand complex | Gromacs tutorial | CHARMM forcefield | Molecular dynamics simulation - YouTube
How to optimization a small molecule with a high penalty score obtained from CGenff? | ResearchGate
CGenFF
Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules | SpringerLink
Department of Computational Biological Chemistry
Additive CHARMM force field for naturally occurring modified ribonucleotides - Xu - 2016 - Journal of Computational Chemistry - Wiley Online Library
How to generate CHARMM force field for GROMACS using CGenFF? | ResearchGate
CGenFF: CHARMM General Force Field — SilcsBio User Guide
Assessing the quality of absolute hydration free energies among CHARMMcompatible ligand parameterization schemes
How to optimization a small molecule with a high penalty score obtained from CGenff? | ResearchGate
Protein-Ligand Complex
CHARMM force field parameters for 2′-hydroxybiphenyl-2-sulfinate, 2-hydroxybiphenyl, and related analogs - ScienceDirect
Molefacture Plugin, Version 2.0
Validation of the Generalized Force Fields GAFF, CGenFF, OPLS-AA, and PRODRGFF by Testing Against Experimental Osmotic Coefficient Data for Small Drug-Like Molecules | Journal of Chemical Information and Modeling
How to generate CHARMM force field for GROMACS using CGenFF? - ECHEMI
QligFEP: an automated workflow for small molecule free energy calculations in Q | Journal of Cheminformatics | Full Text
How to generate topology of small molecules & ligands for MD Simulation? — Bioinformatics Review
