Understanding the Differences of Danusertib's Residence Time in Aurora Kinases A/B: Dissociation Paths and Key Residues Identified using Conventional and Enhanced Molecular Dynamics Simulations.
Felipe Bravo-MoragaMauricio BedoyaAriela Vergara JaqueJans H. Alzate-MoralesPublished in: J. Chem. Inf. Model. (2024)