Manual MCSI – version 2010-1
Parallel Methods for Protein Coordinate Conversion
CHARMM Force-Field Parameters for Morphine, Heroin, and Oliceridine, and Conformational Dynamics of Opioid Drugs | Journal of Chemical Information and Modeling
CHARMM‐GUI high‐throughput simulator for efficient evaluation of protein–ligand interactions with different force fields - Guterres - 2022 - Protein Science - Wiley Online Library
CHARMM: the biomolecular simulation program. - Abstract - Europe PMC
LECTURE 2 CHARMM Course 4-OCT-2005 Chemistry at HARvard Macromolecular Mechanics Second Lecture:
Paratool's user guide
Relaxation of backbone bond geometry improves protein energy landscape modeling - Conway - 2014 - Protein Science - Wiley Online Library
Internal coordinates representation (torsion angles) | Download Scientific Diagram
Examining the Topology File
CHARMM: The biomolecular simulation program
CHARMM-GUI
Internal Coordinates
Internal Coordinate Molecular Dynamics: A Foundation for Multiscale Dynamics | The Journal of Physical Chemistry B
CHEM 515 Spectroscopy Vibrational Spectroscopy III. - ppt download
Validating the CHARMM36m protein force field with LJ-PME reveals altered hydrogen bonding dynamics under elevated pressures | Communications Chemistry
CHARMM-GUI
CHARMM-GUI
Paratool's user guide
Branched polyethyleneimine: CHARMM force field and molecular dynamics simulations - Terteci‐Popescu - Journal of Computational Chemistry - Wiley Online Library
Computational Methods for Configurational Entropy Using Internal and Cartesian Coordinates | Journal of Chemical Theory and Computation
a) The internal potential plotted against the internal coordinate for... | Download Scientific Diagram
VM2: Free Energy Calculations by Mining Minima - VeraChem LLC
3 n - 6 internal bond-angle-torsion coordinates for a small molecule. | Download High-Quality Scientific Diagram
Introduction to Biomolecular Simulation using CHARMM
Spin‐projected QM/MM Free Energy Simulations for Oxidation Reaction of Guanine in B−DNA by Singlet Oxygen - Saito - 2021 - ChemPhysChem - Wiley Online Library
CHARMM: the biomolecular simulation program. - Abstract - Europe PMC
CHARMM-GUI
Internal Coordinate Molecular Dynamics: A Foundation for Multiscale Dynamics | The Journal of Physical Chemistry B
