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Journal of Chemical Information and Modeling|August 28, 2010
GARLig: a fully automated tool for subset selection of large fragment spaces via a self-adaptive genetic algorithmPatrick Pfeffer, Thomas Fober, Eyke Hüllermeier, et al.Proteins|April 30, 2008
SFCscore: scoring functions for affinity prediction of protein-ligand complexesChristoph A Sotriffer, Paul Sanschagrin, Hans Matter, et al.Journal of Molecular Biology|July 10, 2003
ZZ made EZ: influence of inhibitor configuration on enzyme selectivityDaniel Rauh, Gerhard Klebe, Jörg Stürzebecher, et al.Journal of Medicinal Chemistry|June 8, 2017
Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin InhibitorsJonathan Cramer, Stefan G Krimmer, Andreas Heine, et al.Biological Chemistry|November 20, 2002
Trypsin mutants for structure-based drug design: expression, refolding and crystallisationDaniel Rauh, Sabine Reyda, Gerhard Klebe, et al.Proteins|May 18, 2004
Virtual screening for inhibitors of human aldose reductaseOliver Kraemer, Isabelle Hazemann, Alberto D Podjarny, et al.Chemmedchem|December 28, 2006
Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactionsArmida Di Fenza, Andreas Heine, Ulrich Koert, et al.Journal of Enzyme Inhibition and Medicinal Chemistry|January 18, 2013
On the interpretation of tyrosinase inhibition kineticsWei Sun, Michael Wendt, Gerhard Klebe, et al.Journal of Molecular Biology|October 2, 2007
Tracing changes in protonation: a prerequisite to factorize thermodynamic data of inhibitor binding to aldose reductaseHolger Steuber, Paul Czodrowski, Christoph A Sotriffer, et al.Chemmedchem|March 14, 2014
Methyl, ethyl, propyl, butyl: futile but not for water, as the correlation of structure and thermodynamic signature shows in a congeneric series of thermolysin inhibitorsStefan G Krimmer, Michael Betz, Andreas Heine, et al.Pageof 25