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GENESIS: a hybrid-parallel and multi-scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations
GENESIS (Generalized-Ensemble Simulation System) is a new software package for molecular dynamics (MD) simulations of macromolecules. It has two MD simulators, called ATDYN and SPDYN. ATDYN is parallelized based on an atomic decomposition algorithm for the simulations of all-atom force-field models...
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| Udgivet i: | Wiley Interdiscip Rev Comput Mol Sci |
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| Main Authors: | , , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Wiley Periodicals, Inc.
2015
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4696414/ https://ncbi.nlm.nih.gov/pubmed/26753008 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/wcms.1220 |
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