Theory of molecular recognition and structural fluctuation of biomolecules

Fumio Hirata, Norio Yoshida, Bongsoo Kim

    Research output: Chapter in Book/Report/Conference proceedingChapter

    Abstract

    In this chapter, we present a theoretical treatment on the molecular recognition, one of elementary processes of life phenomena, based on the 3D-RISM/RISM theory. The theory has been applied successfully to a variety of molecular recognition processes. It has proved its ability to discriminate molecules having different charges and structures, which is an essential requirement for the in silico drug design. The structural fluctuation plays a crucial role in the process where a protein expresses its function. A new theory to characterize the structural fluctuation of protein around its native state, which combines the 3D-RISM/RISM theory with the generalized Langevin theory, is also presented here.

    Original languageEnglish
    Title of host publicationMolecular Science of Fluctuations Toward Biological Functions
    PublisherSpringer Japan
    Pages163-181
    Number of pages19
    ISBN (Electronic)9784431558408
    ISBN (Print)9784431558385
    DOIs
    Publication statusPublished - Jan 1 2016

    All Science Journal Classification (ASJC) codes

    • Chemistry(all)
    • Biochemistry, Genetics and Molecular Biology(all)
    • Agricultural and Biological Sciences(all)
    • Medicine(all)

    Fingerprint Dive into the research topics of 'Theory of molecular recognition and structural fluctuation of biomolecules'. Together they form a unique fingerprint.

    Cite this