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CHARMM

Known as: Charm, CHARMM27, CHARMM19 
Chemistry at Harvard Macromolecular Mechanics (CHARMM ) is the name of a widely used set of force fields for molecular dynamics, and the name for the… 
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Related topics

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ARM architectureAmiraAscalaph DesignerAssisted Model Building with Energy Refinement (AMBER)

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2005
2005
Temperature dependence of the transport coefficients of ions from molecular dynamics simulations
2005
2005
Monte Carlo molecular simulation predictions for the heat of vaporization of acetone and butyramide
Highly Cited
2004
Highly Cited
2004
Ab Initio Quality Electrostatic Atomic and Molecular Properties Including Intermolecular Energies from a Transferable Theoretical Pseudoatom Databank
The development of a theoretical databank of transferable pseudoatoms for fast prediction of the electron densities and related… 
Highly Cited
2003
Highly Cited
2003
Density of states simulations of proteins
A modified version of a recently introduced algorithm that calculates density of states by performing a random walk in energy… 
Highly Cited
2003
Highly Cited
2003
Force field influence on the observation of π-helical protein structures in molecular dynamics simulations
In this study, we have investigated the sampling of π-helical conformations, with i, i + 5 hydrogen bonding, using empirical… 
2001
2001
Combinations of simulation and integral equation theory
Much work has been done to accelerate the prediction of structure and thermodynamics, particularly of the chemical potential of… 
Highly Cited
1999
Highly Cited
1999
Experimental Charge Densities and Intermolecular Interactions: Electrostatic and Topological Analysis of DL-Histidine
A high-resolution, low-temperature X-ray diffraction data set on dl-histidine, collected with a CCD detector, is used in the… 
Highly Cited
1997
Highly Cited
1997
Computer simulation of molecular diffusion in amorphous polymers
Highly Cited
1996
Highly Cited
1996
Force field parameters for carbohydrates
A new set of force field parameters for carbohydrates is reported. The parameter set is based on the CHARMM22 force field of… 
Highly Cited
1995
Highly Cited
1995
Runtime and language support for compiling adaptive irregular programs on distributed‐memory machines
In many scientific applications, arrays containing data are indirectly indexed through indirection arrays. Such scientific… 
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