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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Udgivet i:Biophys J
Main Authors: Wang, Jinan, Peng, Cheng, Yu, Yuqu, Chen, Zhaoqiang, Xu, Zhijian, Cai, Tingting, Shao, Qiang, Shi, Jiye, Zhu, Weiliang
Format: Artigo
Sprog:Inglês
Udgivet: The Biophysical Society 2020
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Articles
Online adgang: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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