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Exploring Conformational Change of Adenylate Kinase by Replica Exchange Molecular Dynamic Simulation

Replica exchange molecular dynamics (REMD) simulation is a popular enhanced sampling method that is widely used for exploring the atomic mechanism of protein conformational change. However, the requirement of huge computational resources for REMD, especially with the explicit solvent model, largely...

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Détails bibliographiques
Publié dans:Biophys J
Auteurs principaux: Wang, Jinan, Peng, Cheng, Yu, Yuqu, Chen, Zhaoqiang, Xu, Zhijian, Cai, Tingting, Shao, Qiang, Shi, Jiye, Zhu, Weiliang
Format: Artigo
Langue:Inglês
Publié: The Biophysical Society 2020
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC7063423/
https://ncbi.nlm.nih.gov/pubmed/31995738
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2020.01.001
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