fraction of our work involves the biomolecular simulation
The academic version of CHARMM is distributed by Martin Karplus at Harvard.
The commercial version of CHARMM is distributed by Accelrys.
- Poisson-Boltzmann module PBEQ
- Grand canonical monte carlo Brownian dynamics GCMC/BD
- Three-dimensional Poisson-Nersnt-Planck 3dPNP
- Building a configuration for a membrane/protein system
- Reference interaction site model RISM
- Solvent boundary potential SSBP and GSBP
- Common ion parameters for CHARMM
- Absolute binding free energy
- Fast-SAXS method for small-angle X-ray scattering (SAXS) of proteins
- Molecular dynamics free energy simulation MD/FES
- Umbrella sampling potential of mean force PMF/WHAM