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Unconstrained Enhanced Sampling for Free Energy Calculations of Biomolecules: A Review

Free energy calculations are central to understanding the structure, dynamics and function of biomolecules. Yet insufficient sampling of biomolecular configurations is often regarded as one of the main sources of error. Many enhanced sampling techniques have been developed to address this issue. Not...

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Detalles Bibliográficos
Publicado en:Mol Simul
Main Authors: Miao, Yinglong, McCammon, J. Andrew
Formato: Artigo
Idioma:Inglês
Publicado: 2016
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC4955644/
https://ncbi.nlm.nih.gov/pubmed/27453631
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/08927022.2015.1121541
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