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Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure Reservoir.

Authors :
Lam, Kenneth
Kasavajhala, Koushik
Gunasekera, Sarah
Simmerling, Carlos
Source :
Journal of Chemical Theory & Computation; 6/14/2022, Vol. 18 Issue 6, p3930-3947, 18p
Publication Year :
2022

Details

Language :
English
ISSN :
15499618
Volume :
18
Issue :
6
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
157460794
Full Text :
https://doi.org/10.1021/acs.jctc.2c00065