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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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| Publié dans: | Biophys J |
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| Auteurs principaux: | , , , , , , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
The Biophysical Society
2020
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| 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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