Insights into Mcl-1 Conformational States and Allosteric Inhibition Mechanism from Molecular Dynamics Simulations, Enhanced Sampling, and Pocket Crosstalk Analysis. - Mohammed Benabderrahmane; Ronan Bureau; Anne Sophie Voisin-Chiret; Jana Sopkova-de Oliveira Santos (J. Chem. Inf. Model., 2020)

Cryptic Pockets Repository through Pocket Dynamics Tracking and Metadynamics on Essential Dynamics Space: Applications to Mcl-1. - Mohammed Benabderrahmane; Ronan Bureau; Anne Sophie Voisin-Chiret; Jana Sopkova-de Oliveira Santos (J. Chem. Inf. Model., 2021)