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Ligand shape emerges in solvent dipole ordering region at ligand binding site of protein |
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| Authors: | Katsumi Murata Naoya Nagata Isao Nakanishi Kazuo Kitaura |
| Institution: | Department of Theoretical Drug Design, Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo‐ku, Kyoto, 606‐8501 Japan |
| Abstract: | |
| Keywords: | solvent dipole ordering ligand shape docking study drug design molecular dynamics simulations |