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Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics

This review provides a comprehensive description of the self-guided Langevin dynamics (SGLD) and the self-guided molecular dynamics (SGMD) methods and their applications. Example systems are included to provide guidance on optimal application of these methods in simulation studies. SGMD/SGLD has enh...

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Bibliographic Details
Main Authors: Wu, Xiongwu, Damjanovic, Ana, Brooks, Bernard R.
Format: Artigo
Language:Inglês
Published: 2012
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC3731171/
https://ncbi.nlm.nih.gov/pubmed/23913991
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/9781118197714.ch6
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