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… (More)
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Highly Cited
2014
Highly Cited
2014
CHARMM-GUI Membrane Builder, http://www.charmm-gui.org/input/membrane, is a web-based user interface designed to interactively… (More)
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2014
2014
We introduce a new faster molecular dynamics (MD) engine into the CHARMM software package. The new MD engine is faster both in… (More)
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Highly Cited
2012
Highly Cited
2012
Molecular mechanics force fields are widely used in computer-aided drug design for the study of drug-like molecules alone or… (More)
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Highly Cited
2012
Highly Cited
2012
Molecular mechanics force fields are widely used in computer-aided drug design for the study of drug candidates interacting with… (More)
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Highly Cited
2011
Highly Cited
2011
The prediction of binding modes (BMs) occurring between a small molecule and a target protein of biological interest has become… (More)
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Highly Cited
2009
Highly Cited
2009
The widely used CHARMM additive all-atom force field includes parameters for proteins, nucleic acids, lipids, and carbohydrates… (More)
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Review
2009
Review
2009
CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been… (More)
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Highly Cited
2008
Highly Cited
2008
CHARMM is an academic research program used widely for macromolecular mechanics and dynamics with versatile analysis and… (More)
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Highly Cited
2003
Highly Cited
2003
The influence of various factors on the accuracy of protein-ligand docking is examined. The factors investigated include the role… (More)
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