Routine Access to Millisecond Time Scale Events with Accelerated Molecular Dynamics

In this work, we critically assess the ability of the all-atom enhanced sampling method accelerated molecular dynamics (aMD) to investigate conformational changes in proteins that typically occur on the millisecond time scale. We combine aMD with the inherent power of graphics processor units (GPUs)...

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Detalles Bibliográficos
Autores principales: Pierce, Levi C.T., Salomon-Ferrer, Romelia, Augusto F. de Oliveira, Cesar, McCammon, J. Andrew, Walker, Ross C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2012
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3438784/
https://www.ncbi.nlm.nih.gov/pubmed/22984356
http://dx.doi.org/10.1021/ct300284c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3438784/
https://www.ncbi.nlm.nih.gov/pubmed/22984356
http://dx.doi.org/10.1021/ct300284c

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