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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 molecular...
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topology files. The
typical file
extension for a
GROMACS file is .gro. The
CHARMM molecular dynamics package can read and
write a
number of
standard chemical...
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often performed using molecular dynamics with
force fields such as GROMOS,
CHARMM, or AMBER.[citation needed]
Phospholipids are
optically highly birefringent...
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before moving back to the US
where he
worked on the
development of the
CHARMM protein force field under Martin Karplus at
Harvard University. MacKerell...
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biology and
material science. Im's
group has led the
development of the
CHARMM-GUI webserver, a widely-used tool that
makes generating the
inputs required...
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software Molecule editor Comparison of
software for
molecular mechanics modeling Molecular modeling on GPU
Automatic Force Field generator CHARMM-GUI...
- Free
software CP2K
GROMACS LAMMPS OpenMM PLUMED Proprietary Abalone AMBER CHARMM CPMD
Desmond GROMOS NAMD...
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continuum model of
solvent effects suitable for
computer simulations of
small and
large molecular systems. An
essay on SCP-ISM
CHARMM website v t e v t e...
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algorithms developed originally in the
scientific community,
including CHARMM, MODELLER, DELPHI, ZDOCK, DMol3 and more.
Discovery Studio provides software...
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QuanPol is a full
spectrum and
seamless (HF, MCSCF, GVB, MP2, DFT, TDDFT,
CHARMM, AMBER, OPLSAA) QM/MM
package integrated in GAMESS-US. 10
Through CRYSCOR...
