Prediction of Potency of Protease Inhibitors Using Free Energy Simulations with Polarizable Quantum Mechanics-Based Ligand Charges and a Hybrid Water Model. - Debananda Das; Yasuhiro Koh; Yasushi Tojo; Arun K. Ghosh; Hiroaki Mitsuya (J. Chem. Inf. Model., 2009)

The Assembly-Inducing Laulimalide/Peloruside A Binding Site on Tubulin: Molecular Modeling and Biochemical Studies with [3H]Peloruside A. - Tam Luong Nguyen; Xiaoming Xu; Rick Gussio; Arun K. Ghosh; Ernest Hamel (J. Chem. Inf. Model., 2010)