Development of effective models for vectorial biological processes
日時：２００６年５月３０日（火）１３時２０分−１４時５０分
Qiang Cui 氏
（Department of Chemistry and Theoretical Chemistry Institute, University of Wisconsin-Madison）
場所：発達科学部 G１１２ (G棟１階)
Progress towards understanding vectorial processes in biological systems using theoretical and computational approaches will be discussed. The specific problems of interest include mechanochemical coupling in the molecular motor myosin, vectorial proton pumping in cytochrome c oxidase and the gating of mechanosensitive channels. Several related methodological developments will be discussed, which include boundary potential for QM/MM simulations, effective QM methods for treating long-range proton transfers and phosphate chemistry, and coarse-grained models for describing large-scale motions in biomolecules. Quantitative benchmark calculations of these methods have been carried out using both model and realistic biological systems. The application of these methods will be briefly discussed.
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□ 世話人：田中成典 (発達科学部 自然環境論講座)
e-mail: tanaka2@kobe-u.ac.jp
TEL: 078-803-7752