Predicting new protein conformations from molecular dynamics simulation conformational landscapes and machine learning
Author:
Affiliation:
1. Manchester Institute of Biotechnology and Department of Chemistry The University of Manchester Manchester UK
2. School of Computer Science and Engineering Central South University Changsha China
Funder
Biotechnology and Biological Sciences Research Council
Publisher
Wiley
Subject
Molecular Biology,Biochemistry,Structural Biology
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/prot.26068
Reference36 articles.
1. Long-timescale molecular dynamics simulations of protein structure and function
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3. Dynamic personalities of proteins
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5. Enhanced sampling in molecular dynamics
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