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Protein pocket and ligand shape comparison and its application in virtual screening
Authors:Matthias Wirth  Andrea Volkamer  Vincent Zoete  Friedrich Rippmann  Olivier Michielin  Matthias Rarey  Wolfgang H B Sauer
Institution:1. Computational Chemistry, Merck Serono S.A. Geneva, Chemin des Mines 9, 1202, Geneva, Switzerland
2. Swiss Institute of Bioinformatics, Molecular Modelling Group, UNIL Sorge-Batiment Génopode, 1015, Lausanne, Switzerland
3. Center for Bioinformatics, University of Hamburg, Bundesstr. 43, 20146, Hamburg, Germany
4. Global Computational Chemistry, Merck KGaA, Merck Serono, Frankfurter Str. 250, 64293, Darmstadt, Germany
Abstract:
Keywords:
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