Insights into Mcl-1 Conformational States and Allosteric Inhibition Mechanism from Molecular Dynamics Simulations, Enhanced Sampling, and Pocket Crosstalk Analysis.
Mohammed BenabderrahmaneRonan BureauAnne Sophie Voisin-ChiretJana Sopkova-de Oliveira SantosPublished in: J. Chem. Inf. Model. (2020)