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Very fast prediction and rationalization of pKa values for protein-ligand complexes |
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| Authors: | Bas Delphine C Rogers David M Jensen Jan H |
| Affiliation: | Equipe de Chimie et Biochimie Théoriques, UMR 7565 - CNRS, Université Henri Poincaré, Nancy I, Boulevard des Aiguillettes BP 239, 54506 Vandoeuvre-lès-Nancy Cedex, France. |
| Abstract: | |
| Keywords: | protein−ligand interaction pKa prediction protonation states drug discovery |
| 本文献已被 PubMed 等数据库收录！ | |