Enhanced Conformational Sampling with an Adaptive Coarse-Grained Elastic Network Model Using Short-Time All-Atom Molecular Dynamics
Author:
Affiliation:
1. RIKEN Center for Computational Science, Kobe 650-0047, Japan
2. Graduate School of Medical Life Science, Yokohama City University, Yokohama 230-0045, Japan
3. Graduate School of Medicine, Kyoto University, Kyoto 606-8507, Japan
Funder
Ministry of Education, Culture, Sports, Science and Technology
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01074
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