Jiayi Li

Currently, as a postdoctoral researcher (mentor: Dong-Qing Wei) in Shanghai Jiao Tong University. PhD in computational chemistry(mentor: Yi-Lei Zhao) in Shanghai Jiao Tong University Reseach Interest: enzymatic catalytic mechanism; drug design; theoretical chemistry, DFT calculation, wavefunction analyze, conformation dynamics , free energy calculation（FEP，TI method）Non-covalent interaction (halogen bond, hydrogen bond, chalcogen bond),CADD,AIDD