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Molecular Recognition at the Active Site of Catechol‐O‐Methyltransferase: Energetically Favorable Replacement of a Water Molecule Imported by a Bisubstrate Inhibitor |
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| Authors: | Manuel Ellermann Roland Jakob‐Roetne Dr. Christian Lerner Dr. Edilio Borroni Dr. Daniel Schlatter Dr. Doris Roth Dr. Andreas Ehler Markus Georg Rudolph Dr. François Diederich Prof. Dr. |
| Affiliation: | 1. Laboratorium für Organische Chemie, ETH Zürich, Wolfgang‐Pauli‐Strasse 10, 8093 Zurich (Switzerland), Fax: (+41)?44‐632‐1109;2. Pharma Division, Pr?klinische Forschung, F. Hoffmann–La Roche AG, 4070 Basel (Switzerland) |
| Abstract: | |
| Keywords: | drug discovery enzymes inhibitors medicinal chemistry structure– activity relationships |