Exploring the Stability of Ligand Binding Modes to Proteins by Molecular Dynamics Simulations: A Cross-docking Study. - Kai Liu 033; Hironori Kokubo (J. Chem. Inf. Model., 2017)

Prediction of ligand binding mode among multiple cross-docking poses by molecular dynamics simulations. - Kai Liu 033; Hironori Kokubo (J. Comput. Aided Mol. Des., 2020)