The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask

[Image: see text] In the host of numerical schemes devised to calculate free energy differences by way of geometric transformations, the adaptive biasing force algorithm has emerged as a promising route to map complex free-energy landscapes. It relies upon the simple concept that as a simulation pro...

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Bibliografske podrobnosti
izdano v:J Phys Chem B
Main Authors: Comer, Jeffrey, Gumbart, James C., Hénin, Jérôme, Lelièvre, Tony, Pohorille, Andrew, Chipot, Christophe
Format: Artigo
Jezik:Inglês
Izdano: American Chemical Society 2014
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC4306294/
https://ncbi.nlm.nih.gov/pubmed/25247823
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp506633n
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