Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
We have investigated softness of complex molecular systems by developing simulation methods, and applying them to investigate softness-function relationship. To investigate relationship between softness and function, we developed simulation methods, MuSTAR MD and PaCS-MD, by considering features of soft molecular systems. In collaboration with the researchers in A02, we carefully compared computational and theoretical results as seen in the study of DNA and RNA hairpin structure formation and stability. In collaboration with the researchers in A03, we predicted and designed protein structure and function as seen in the case of DNA photolyase studies.
Attribution of KAKENHI