Hitoshi Murai

Computational approaches streamlining drug discovery

Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries

Carbamoyl Pyridone HIV-1 Integrase Inhibitors. 2. Bi- and Tricyclic Derivatives Result in Superior Antiviral and Pharmacokinetic Profiles

Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: A platform for antiviral drug design