Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory

Molecules

Itaru Onishi¹  Masayuki Irisa¹  Norio Yoshida²  Masatake Sugita³  Fumio Hirata⁴ 

[1] Department of Bioscience and Bioinformatics, Kyushu Institute of Technology, Iizuka, Fukuoka 820-8502, Japan;Department of Chemistry, Kyushu University, Fukuoka, Fukuoka 812-8581, Japan;Department of Computer Science, School of Computing, Tokyo Institute of Technology, W8-76, 2-12-1, Ookayama Meguro-ku, Tokyo 152-8550, Japan;Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki, Aichi 444-8585, Japan;

关键词: molecular recognition;    self-organization;    RISM/3D-RISM theory;    water;    solvation;    fluctuation;   

DOI  :  10.3390/molecules26020271

来源: DOAJ

【 摘 要 】

There are two molecular processes that are essential for living bodies to maintain their life: the molecular recognition, and the self-organization or self-assembly. Binding of a substrate by an enzyme is an example of the molecular recognition, while the protein folding is a good example of the self-organization process. The two processes are further governed by the other two physicochemical processes: solvation and the structural fluctuation. In the present article, the studies concerning the two molecular processes carried out by Hirata and his coworkers, based on the statistical mechanics of molecular liquids or the RISM/3D-RISM theory, are reviewed.

【 授权许可】

Unknown