| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382548 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
⺠Binding free energy calculation method for protein-ligand complex is proposed. ⺠Calculation is conducted with the solution theory in the energy representation. ⺠Four distinct lysozyme-triNAG binding modes are examined. ⺠Crystal binding mode is identified as the lowest binding energy mode. ⺠We conclude that the method can be used to distinguish more plausible binding mode.
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Authors
Kazuhiro Takemura, Raghunadha Reddy Burri, Takeshi Ishikawa, Takakazu Ishikura, Shun Sakuraba, Nobuyuki Matubayasi, Kazuo Kuwata, Akio Kitao,