Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules | SpringerLink
Protein-ligand complex | Gromacs tutorial | CHARMM forcefield | Molecular dynamics simulation - YouTube
Supporting Information
molecular dynamics - Alternative to CGenFF for generating large ligand topology - Matter Modeling Stack Exchange
How to generate topology of small molecules & ligands for MD Simulation? — Bioinformatics Review
CHARMM force field parameters for 2′-hydroxybiphenyl-2-sulfinate, 2-hydroxybiphenyl, and related analogs - ScienceDirect
NAMD QM/MM (CGenFF) - Adrea's Notebook and Journal
Frontiers | Relative binding free energy calculations with transformato: A molecular dynamics engine-independent tool
GitHub - jandom/paramchem: Python scrapper for paramche/cgenff server, small molecule parametrization
How to overcome the error: "CGenFF versions are not equivalent!" in running Gromacs? | ResearchGate
Frontiers | Relative binding free energy calculations with transformato: A molecular dynamics engine-independent tool
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
Full article: Free energy perturbation calculations of tetrahydroquinolines complexed to the first bromodomain of BRD4
Additive CHARMM force field for naturally occurring modified ribonucleotides - Xu - 2016 - Journal of Computational Chemistry - Wiley Online Library
Molecules | Free Full-Text | Comparing Dimerization Free Energies and Binding Modes of Small Aromatic Molecules with Different Force Fields
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
Assessing the quality of absolute hydration free energies among CHARMMcompatible ligand parameterization schemes
CGenFF
CHARMM-GUI PDB Manipulator: Various PDB Structural Modifications for Biomolecular Modeling and Simulation - ScienceDirect
FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules - Kumar - 2020 - Journal of Computational Chemistry - Wiley Online Library
Protein-ligand complex | Gromacs tutorial | CHARMM forcefield | Molecular dynamics simulation - YouTube
Molefacture Plugin, Version 2.0
Protein-Ligand Complex
How to generate CHARMM force field for GROMACS using CGenFF? | ResearchGate
