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Journal of Molecular Biology|March 21, 2007
Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contributionHolger Steuber, Andreas Heine, Gerhard KlebeJournal of Molecular Biology|January 20, 2004
Understanding protein-ligand interactions: the price of protein flexibilityDaniel Rauh, Gerhard Klebe, Milton T StubbsJournal of Medicinal Chemistry|August 9, 2002
Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmationSven Grüneberg, Milton T Stubbs, Gerhard KlebeProteins|May 27, 2004
Probing flexibility and "induced-fit" phenomena in aldose reductase by comparative crystal structure analysis and molecular dynamics simulationsChristoph A Sotriffer, Oliver Krämer, Gerhard KlebeNature Reviews. Drug Discovery|December 5, 2009
Adding calorimetric data to decision making in lead discovery: a hot tipJohn E Ladbury, Gerhard Klebe, Ernesto FreireJournal of Chemical Information and Modeling|May 17, 2007
Atypical protonation states in the active site of HIV-1 protease: a computational studyPaul Czodrowski, Christoph A Sotriffer, Gerhard KlebeJournal of Medicinal Chemistry|May 3, 2002
Docking into knowledge-based potential fields: a comparative evaluation of DrugScoreChristoph A Sotriffer, Holger Gohlke, Gerhard KlebeChemmedchem|August 12, 2006
Integrated approach using protein and ligand information to analyze selectivity- and affinity-determining features of carbonic anhydrase isozymesAlexander Hillebrecht, Claudiu T Supuran, Gerhard KlebeJournal of Molecular Biology|February 24, 2007
Protonation changes upon ligand binding to trypsin and thrombin: structural interpretation based on pK(a) calculations and ITC experimentsPaul Czodrowski, Christoph A Sotriffer, Gerhard KlebeJournal of Molecular Biology|May 23, 2008
Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining featuresHolger Steuber, Andreas Heine, Alberto Podjarny, et al.Pageof 25