Learning high-dimensional reaction coordinates of fast-folding proteins using State Predictive information bottleneck and Bias Exchange Metadynamics

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Authors: Nancy D. Pomarici, Shams Mehdi, Patrick K. Quoika, Suemin Lee, Johannes R. Loeffler, Klaus R. Liedl, Pratyush Tiwary, Monica L. Fernández-Quintero

Journal title: bioRxiv

Journal publisher: Cold Spring Harbor Laboratory

Published year: 2024

Published pages: 2023.07.24.550401

DOI identifier: 10.1101/2023.07.24.550401

ISSN: 2692-8205