Theory of molecular recognition and structural fluctuation of biomolecules

Fumio Hirata, Norio Yoshida, Bongsoo Kim

    研究成果: Chapter in Book/Report/Conference proceedingChapter


    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.

    ホスト出版物のタイトルMolecular Science of Fluctuations Toward Biological Functions
    出版社Springer Japan
    出版ステータス出版済み - 1 1 2016

    All Science Journal Classification (ASJC) codes

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

    フィンガープリント 「Theory of molecular recognition and structural fluctuation of biomolecules」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。