FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules - Kumar - 2020 - Journal of Computational Chemistry - Wiley Online Library
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
Problem in file (Broken structure ini.pdb) generated using CGenFF for proceeding in MD Simulation - User discussions - GROMACS forums
Additive CHARMM force field for naturally occurring modified ribonucleotides - Xu - 2016 - Journal of Computational Chemistry - Wiley Online Library
How to optimization a small molecule with a high penalty score obtained from CGenff? | ResearchGate
NERDALYTICS
Supporting Information
molecular dynamics - Alternative to CGenFF for generating large ligand topology - Matter Modeling Stack Exchange
Frontiers | Relative binding free energy calculations with transformato: A molecular dynamics engine-independent tool
CHARMM General Force Field (CGenFF) — SilcsBio User Guide
CGenFF Server Ligand Penalties - User discussions - GROMACS forums
How to generate CHARMM force field for GROMACS using CGenFF? - ECHEMI
Frontiers | Relative binding free energy calculations with transformato: A molecular dynamics engine-independent tool
Full article: Free energy perturbation calculations of tetrahydroquinolines complexed to the first bromodomain of BRD4
Evaluation of nine condensed-phase force fields of the GROMOS, CHARMM, OPLS, AMBER, and OpenFF families against experimental cross-solvation free ener ... - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D1CP00215E
How to generate topology of small molecules & ligands for MD Simulation? — Bioinformatics Review
Molefacture Plugin, Version 2.0
NAMD QM/MM (CGenFF) - Adrea's Notebook and Journal
Protein-ligand complex | Gromacs tutorial | CHARMM forcefield | Molecular dynamics simulation - YouTube
How to generate CHARMM force field for GROMACS using CGenFF? | ResearchGate
NAMD QM/MM (CGenFF) - Adrea's Notebook and Journal
Calculations of Absolute Solvation Free Energies with Transformato─Application to the FreeSolv Database Using the CGenFF Force Field | Journal of Chemical Theory and Computation
How to optimization a small molecule with a high penalty score obtained from CGenff? | ResearchGate
QligFEP: an automated workflow for small molecule free energy calculations in Q | Journal of Cheminformatics | Full Text
Molecules | Free Full-Text | Comparing Dimerization Free Energies and Binding Modes of Small Aromatic Molecules with Different Force Fields
