Replica-Exchange Accelerated Molecular Dynamics (REXAMD) Applied to Thermodynamic Integration

Accelerated molecular dynamics (AMD) is an efficient strategy for accelerating the sampling of molecular dynamics simulations, and observable quantities such as free energies derived on the biased AMD potential can be reweighted to yield results consistent with the original, unmodified potential. In...

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Detalles Bibliográficos
Autores principales: Fajer, Mikolai, Hamelberg, Donald, McCammon, J. Andrew
Formato: Texto
Lenguaje:English
Publicado: American Chemical Society 2008
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2651661/
https://www.ncbi.nlm.nih.gov/pubmed/19461870
http://dx.doi.org/10.1021/ct800250m

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2651661/
https://www.ncbi.nlm.nih.gov/pubmed/19461870
http://dx.doi.org/10.1021/ct800250m

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