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Modeling the Structure and Interactions of Intrinsically Disordered Peptides with Multiple Replica, Metadynamics-Based Sampling Methods and Force-Field Combinations.

Authors :
Li, Lunna
Casalini, Tommaso
Arosio, Paolo
Salvalaglio, Matteo
Source :
Journal of Chemical Theory & Computation; 3/8/2022, Vol. 18 Issue 3, p1915-1928, 14p
Publication Year :
2022

Details

Language :
English
ISSN :
15499618
Volume :
18
Issue :
3
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
155998444
Full Text :
https://doi.org/10.1021/acs.jctc.1c00889