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

Internet

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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