Research Interests

(1) Protein folding problem and protein structure predictions are long-standing unsolved problems in theoretical biophysics. Even with the fastest supercomputer available, it is extremely difficult to succeed in folding even the smallest protein into its native structure by computer simulations. We study these problems by powerful molecular simulation techniques. 

(2) We are also studying the molecular mechanisms which allow biomoleuces to carry out efficiently their biological functions such as photosynthesis and vision. We examine these mechanisms by means of electronic state theories and molecular simulations. 

(3) Non-equilibrium phenomena such as electron transfer reactions and solvation dynamics in polar solutions are also investigated and compared with equivalent real biological systems, both using computer simulations and analytical theory. 

Key words : Protein folding in water, photoenergy conversion, and photosignal transduction