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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… Expand
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Highly Cited
2014
Highly Cited
2014
Silica nanostructures find applications in drug delivery, catalysis, and composites, however, understanding of the surface… Expand
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Highly Cited
2009
Highly Cited
2009
The similarity of the AMBER force field's energy functional form with that of the CHARMM force field, gives the potential for… Expand
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2006
2006
Several scientific projects use BOINC (Berkeley Open Infrastructure for Network Computing) to perform largescale simulations… Expand
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2005
2005
Vapor pressure and heats of vaporization are computed for the industrial fluid properties simulation challenge (IFPSC) data set… Expand
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2005
2005
Abstract The force fields employed in molecular dynamics (MD) simulations are determined under ambient conditions but not much… Expand
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Highly Cited
2004
Highly Cited
2004
The development of a theoretical databank of transferable pseudoatoms for fast prediction of the electron densities and related… Expand
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Highly Cited
2003
Highly Cited
2003
A modified version of a recently introduced algorithm that calculates density of states by performing a random walk in energy… Expand
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Highly Cited
2000
Highly Cited
2000
Improvements in the CHARMM all-atom force field for atomic-level molecular simulations of lipids are reported. Substantial… Expand
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Highly Cited
1996
Highly Cited
1996
Highly Cited
1996
NAMD is a molecular dynamics program designed for high performance simulations of large biomolecular systems on parallel… Expand
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