Sampling Enrichment toward Target Structures Using Hybrid Molecular Dynamics-Monte Carlo Simulations

Sampling enrichment toward a target state, an analogue of the improvement of sampling efficiency (SE), is critical in both the refinement of protein structures and the generation of near-native structure ensembles for the exploration of structure-function relationships. We developed a hybrid molecul...

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Detalles Bibliográficos
Autores principales: Yang, Kecheng, Różycki, Bartosz, Cui, Fengchao, Shi, Ce, Chen, Wenduo, Li, Yunqi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2016
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4881967/
https://www.ncbi.nlm.nih.gov/pubmed/27227775
http://dx.doi.org/10.1371/journal.pone.0156043

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4881967/
https://www.ncbi.nlm.nih.gov/pubmed/27227775
http://dx.doi.org/10.1371/journal.pone.0156043

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