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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Detalles Bibliográficos
Autores principales: Jung, Jaewoon, Mori, Takaharu, Kobayashi, Chigusa, Matsunaga, Yasuhiro, Yoda, Takao, Feig, Michael, Sugita, Yuji
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Wiley Periodicals, Inc. 2015
Materias:
Software Focus
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4696414/
https://www.ncbi.nlm.nih.gov/pubmed/26753008
http://dx.doi.org/10.1002/wcms.1220

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4696414/
https://www.ncbi.nlm.nih.gov/pubmed/26753008
http://dx.doi.org/10.1002/wcms.1220

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