Distinct REV-ERBα Conformational State Predicted by GaMD Simulations Leads to the Structure-Based Discovery of Novel REV-ERBα Antagonist
L. HEGAZY, A.-C. Valfort, T. P. Burris, B. Elgendy
This study uses GaMD simulations to identify a novel conformational state of REV-ERBα, enabling structure-based discovery of new antagonists.
bioRxiv · May 26, 2021 · PreprintBiophysics