Areas of Interest
My research has been focused on advancing physics-based computational methods for studying protein-ligand interactions. These methods include free energy calculation and protein-ligand docking. For free energy calculation, I have developed a new sampling method called Gibbs Sampler based lambda-dynamics and a new estimation method called Rao-Blackwell Estimator. These two methods overcome the problem of original lambda-dynamics method. For protein-ligand docking, I have developed a Fast Fourier Transform (FFT) based accelerated searching algorithm on Graphic Processing Units (GPUs).
- B.S., Beijing University (Math, Pharmacy Science)