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Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability Estimation |
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| Authors: | Luigi Capoferri Marlies C A Verkade-Vreeker Danny Buitenhuis Jan N M Commandeur Manuel Pastor Nico P E Vermeulen Daan P Geerke |
| Institution: | 1. AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.; 2. Research Programme on Biomedical Informatics (GRIB), Department of Experimental and Health Sciences, Universitat Pompeu Fabra, IMIM (Hospital del Mar Medical Research Institute), Dr. Aiguader, 88, E-08003 Barcelona, Spain.; Instituto de Tecnologica Química e Biológica, UNL, PORTUGAL, |
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