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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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Detalles Bibliográficos
Autores principales:	Pang, Yui Tik, Miao, Yinglong, Wang, Yi, McCammon, J. Andrew
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2016
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5743237/ https://www.ncbi.nlm.nih.gov/pubmed/28034310 http://dx.doi.org/10.1021/acs.jctc.6b00931

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