Current status of protein force fields for molecular dynamics simulations.
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ABSTRACT:
SUBMITTER: Lopes PE
PROVIDER: S-EPMC4554537 | biostudies-literature | 2015
REPOSITORIES: biostudies-literature
Publications
Current status of protein force fields for molecular dynamics simulations.
Lopes Pedro E M PE Guvench Olgun O MacKerell Alexander D AD
Methods in molecular biology (Clifton, N.J.) 20150101
The current status of classical force fields for proteins is reviewed. These include additive force fields as well as the latest developments in the Drude and AMOEBA polarizable force fields. Parametrization strategies developed specifically for the Drude force field are described and compared with the additive CHARMM36 force field. Results from molecular simulations of proteins and small peptides are summarized to illustrate the performance of the Drude and AMOEBA force fields. ...[more]
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