Electrostatic Complementarities between Guest Ligands and Host Enzymes
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概要
- 論文の詳細を見る
A method is described for visualizing electrostatic complementarity betweena guest ligand and a host enzyme by using molecular grajvhics and drawing acorrelation map. First, two kinds of electrostatic potentials were calculated andillustrated on the surface of the guest molecule. One is due to the host enzymeand the other is due to the guest molecule itself. Second, the correlation betweenthese two molecular surfaces was calculated and illustrated. Simultaneously,the correlation map was given with a well-defined correlation coefficient. Thismethod provides a helpful tool for understanding the specific electrostatic re-cognition geometrically and quantitatively.
- 社団法人日本物理学会の論文
- 1985-09-15
著者
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Umeyama Hideaki
School Of Pharmaceutical Sciences Kitasato University
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Nakamura Haruki
Department Of Applied Physics Faculty Of Engineering The University Of Tokyo
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Nakamura Haruki
Department Of Applied Physics Faculty Of Engineering University Of Tokyo
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KOMATSU Katsuichiro
School of Pharmaceutical Sciences,Kitasato University
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Komatsu Katsuichiro
School Of Pharmaceutical Sciences Kitasato University
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Umeyama Hideaki
School of Pharmaceutical Sciences,Kitasato University
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