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Gaussian Accelerated Molecular Dynamics in NAMD

[Image: see text] Gaussian accelerated molecular dynamics (GaMD) is a recently developed enhanced sampling technique that provides efficient free energy calculations of biomolecules. Like the previous accelerated molecular dynamics (aMD), GaMD allows for “unconstrained” enhanced sampling without the...

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Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Pang, Yui Tik, Miao, Yinglong, Wang, Yi, McCammon, J. Andrew
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2016
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5743237/
https://ncbi.nlm.nih.gov/pubmed/28034310
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00931
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