Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory
Masatake Sugita, Itaru Onishi, Masayuki Irisa, Norio Yoshida, Fumio Hirata
Abstract
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.
Topics & Concepts
Molecular mechanicsSolvationMolecular recognitionStatistical mechanicsSelf-organizationFolding (DSP implementation)Molecular orbital theoryMolecular dynamicsProcess (computing)ChemistryStatistical physicsComputational chemistryMoleculePhysicsComputer scienceArtificial intelligenceMolecular orbitalEngineeringElectrical engineeringOrganic chemistryOperating systemthermodynamics and calorimetric analysesProtein Structure and DynamicsLipid Membrane Structure and Behavior