QligFEP: an automated workflow for small molecule free energy calculations in Q | Journal of Cheminformatics | Full Text
NERDALYTICS
Frontiers | Relative binding free energy calculations with transformato: A molecular dynamics engine-independent tool
Frontiers | Relative binding free energy calculations with transformato: A molecular dynamics engine-independent tool
NAMD QM/MM (CGenFF) - Adrea's Notebook and Journal
GitHub - jandom/paramchem: Python scrapper for paramche/cgenff server, small molecule parametrization
CGenFF
CGenFF Server Ligand Penalties - User discussions - GROMACS forums
Problem in file (Broken structure ini.pdb) generated using CGenFF for proceeding in MD Simulation - User discussions - GROMACS forums
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
How to optimization a small molecule with a high penalty score obtained from CGenff? | ResearchGate
How to optimization a small molecule with a high penalty score obtained from CGenff? | ResearchGate
CHARMM General Force Field (CGenFF) — SilcsBio User Guide
How to generate CHARMM force field for GROMACS using CGenFF? | ResearchGate
FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules - Kumar - 2020 - Journal of Computational Chemistry - Wiley Online Library
Problem while generating JZ4 Topology with CGenFF - User discussions - GROMACS forums
CGenFF: CHARMM General Force Field — SilcsBio User Guide
CHARMM-GUI PDB Manipulator: Various PDB Structural Modifications for Biomolecular Modeling and Simulation - ScienceDirect
Molefacture Plugin, Version 2.0
Department of Computational Biological Chemistry
How to overcome the error: "CGenFF versions are not equivalent!" in running Gromacs? | ResearchGate
CHARMM force field parameters for 2′-hydroxybiphenyl-2-sulfinate, 2-hydroxybiphenyl, and related analogs - ScienceDirect
Molecules | Free Full-Text | Comparing Dimerization Free Energies and Binding Modes of Small Aromatic Molecules with Different Force Fields
molecular dynamics - Alternative to CGenFF for generating large ligand topology - Matter Modeling Stack Exchange
Additive CHARMM force field for naturally occurring modified ribonucleotides - Xu - 2016 - Journal of Computational Chemistry - Wiley Online Library
