RedMDStream: Parameterization and Simulation Toolbox for Coarse-Grained Molecular Dynamics Models.
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ABSTRACT:
SUBMITTER: Leonarski F
PROVIDER: S-EPMC4407251 | biostudies-literature | 2015 Apr
REPOSITORIES: biostudies-literature
Publications
RedMDStream: Parameterization and Simulation Toolbox for Coarse-Grained Molecular Dynamics Models.
Leonarski Filip F Trylska Joanna J
Biophysical journal 20150401 8
Coarse-grained (CG) models in molecular dynamics (MD) are powerful tools to simulate the dynamics of large biomolecular systems on micro- to millisecond timescales. However, the CG model, potential energy terms, and parameters are typically not transferable between different molecules and problems. So parameterizing CG force fields, which is both tedious and time-consuming, is often necessary. We present RedMDStream, a software for developing, testing, and simulating biomolecules with CG MD mode ...[more]
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