Machine learning/molecular dynamic protein structure prediction approach to investigate the protein conformational ensemble

Abstract Proteins exist in several different conformations. These structural changes are often associated with fluctuations at the residue level. Recent findings show that co-evolutionary analysis coupled with machine-learning techniques improves the precision by providing quantitative distance pred...

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Bibliographic Details
Main Authors: Martina Audagnotto, Werngard Czechtizky, Leonardo De Maria, Helena Käck, Garegin Papoian, Lars Tornberg, Christian Tyrchan, Johan Ulander
Format: Article
Language:English
Published: Nature Portfolio 2022-06-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-022-13714-z