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

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 sel...

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Main Authors: Masatake Sugita, Itaru Onishi, Masayuki Irisa, Norio Yoshida, Fumio Hirata
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/26/2/271
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author Masatake Sugita
Itaru Onishi
Masayuki Irisa
Norio Yoshida
Fumio Hirata
author_facet Masatake Sugita
Itaru Onishi
Masayuki Irisa
Norio Yoshida
Fumio Hirata
author_sort Masatake Sugita
collection DOAJ
description 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.
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spelling doaj.art-d71ffaae38ad4c7cae802bf898c030ce2023-12-03T12:22:59ZengMDPI AGMolecules1420-30492021-01-0126227110.3390/molecules26020271Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM TheoryMasatake Sugita0Itaru Onishi1Masayuki Irisa2Norio Yoshida3Fumio Hirata4Department of Computer Science, School of Computing, Tokyo Institute of Technology, W8-76, 2-12-1, Ookayama Meguro-ku, Tokyo 152-8550, JapanDepartment of Bioscience and Bioinformatics, Kyushu Institute of Technology, Iizuka, Fukuoka 820-8502, JapanDepartment of Bioscience and Bioinformatics, Kyushu Institute of Technology, Iizuka, Fukuoka 820-8502, JapanDepartment of Chemistry, Kyushu University, Fukuoka, Fukuoka 812-8581, JapanTheoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki, Aichi 444-8585, JapanThere 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.https://www.mdpi.com/1420-3049/26/2/271molecular recognitionself-organizationRISM/3D-RISM theorywatersolvationfluctuation
spellingShingle Masatake Sugita
Itaru Onishi
Masayuki Irisa
Norio Yoshida
Fumio Hirata
Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory
Molecules
molecular recognition
self-organization
RISM/3D-RISM theory
water
solvation
fluctuation
title Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory
title_full Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory
title_fullStr Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory
title_full_unstemmed Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory
title_short Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory
title_sort molecular recognition and self organization in life phenomena studied by a statistical mechanics of molecular liquids the rism 3d rism theory
topic molecular recognition
self-organization
RISM/3D-RISM theory
water
solvation
fluctuation
url https://www.mdpi.com/1420-3049/26/2/271
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