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

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Authors: Lunna Li; Tommaso Casalini; Paolo Arosio; Matteo Salvalaglio

Journal title: Journal of Chemical Theory and Computation, 18 (3)

Journal number: 2

Journal publisher: American Chemical Society

Published year: 2022

DOI identifier: 10.3929/ethz-b-000539215

ISSN: 1549-9618