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WExplore: Hierarchical Exploration of High-Dimensional Spaces Using the Weighted Ensemble Algorithm

As most relevant motions in biomolecular systems are inaccessible to conventional molecular dynamics simulations, algorithms that enhance sampling of rare events are indispensable. Increasing interest in intrinsically disordered systems and the desire to target ensembles of protein conformations (ra...

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Bibliografske podrobnosti
izdano v:J Phys Chem B
Main Authors: Dickson, Alex, Brooks, Charles L.
Format: Artigo
Jezik:Inglês
Izdano: 2014
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC4404516/
https://ncbi.nlm.nih.gov/pubmed/24490961
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp411479c
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