A refined pH-dependent coarse-grained model for peptide structure prediction in aqueous solution

Introduction: Peptides carry out diverse biological functions and the knowledge of the conformational ensemble of polypeptides in various experimental conditions is important for biological applications. All fast dedicated softwares perform well in aqueous solution at neutral pH.Methods: In this stu...

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Bibliographic Details
Main Authors: Pierre Tufféry, Philippe Derreumaux
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-01-01
Series:Frontiers in Bioinformatics
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fbinf.2023.1113928/full