Personal information
Biography
An important challenge in modern medicinal chemistry is to develop and utilize various computational approaches to speed up drug discovery process. I primarily focuses on the development and application of state-of-art computational and theoretical techniques to investigate the structures, functions, and dynamics of important drug targets and design potential new drugs using computational approaches and chemical/biological experiments.
My research directions are summaried into the following parts:
(1) Development of structure-based virtual screening (SBVS) methodologies;
(2) Predictions of ADMET and drug-likeness;
(3) Discovery and design of small molecular inhibitors of important protein targets;
(4) Large-scale simulations of target-ligand recognition.