Induced fit with replica exchange improves protein complex structure prediction.

Despite the progress in prediction of protein complexes over the last decade, recent blind protein complex structure prediction challenges revealed limited success rates (less than 20% models with DockQ score > 0.4) on targets that exhibit significant conformational change upon binding. To overco...

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Bibliographic Details
Main Authors: Ameya Harmalkar, Sai Pooja Mahajan, Jeffrey J Gray
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2022-06-01
Series:PLoS Computational Biology
Online Access:https://doi.org/10.1371/journal.pcbi.1010124