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Implementation of Accelerated Molecular Dynamics in NAMD

Accelerated molecular dynamics (aMD) is an enhanced-sampling method that improves the conformational space sampling by reducing energy barriers separating different states of a system. Here we present the implementation of aMD in the parallel simulation program NAMD. We show that aMD simulations per...

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Detalhes bibliográficos
Main Authors: Wang, Yi, Harrison, Christopher B., Schulten, Klaus, McCammon, J. Andrew
Formato: Artigo
Idioma:Inglês
Publicado em: 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3115733/
https://ncbi.nlm.nih.gov/pubmed/21686063
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1088/1749-4699/4/1/015002
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