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Journal of Molecular Biology|July 25, 2009
An integrative approach combining noncovalent mass spectrometry, enzyme kinetics and X-ray crystallography to decipher Tgt protein-protein and protein-RNA interactionTina Ritschel, Cédric Atmanene, Klaus Reuter, et al.ACS Chemical Biology|October 23, 2019
Surprising Non-Additivity of Methyl Groups in Drug-Kinase InteractionBarbara Wienen-Schmidt, Denis Schmidt, Hans-Dieter Gerber, et al.Journal of Medicinal Chemistry|December 10, 2016
Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound LigandsStefan G Krimmer, Jonathan Cramer, Michael Betz, et al.Journal of Medicinal Chemistry|June 25, 2014
Beyond affinity: enthalpy-entropy factorization unravels complexity of a flat structure-activity relationship for inhibition of a tRNA-modifying enzymeManuel Neeb, Michael Betz, Andreas Heine, et al.Journal of Chemical Information and Modeling|October 23, 2009
Molecular docking screens using comparative models of proteinsHao Fan, John J Irwin, Benjamin M Webb, et al.Journal of Medicinal Chemistry|February 13, 2010
Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitorsLaveena Muley, Bernhard Baum, Michael Smolinski, et al.ACS Chemical Biology|December 14, 2016
Elucidating the Origin of Long Residence Time Binding for Inhibitors of the Metalloprotease ThermolysinJonathan Cramer, Stefan G Krimmer, Veronica Fridh, et al.Chemmedchem|August 30, 2008
Computer-aided design and synthesis of nonpeptidic plasmepsin II and IV inhibitorsTorsten Luksch, Nan-Si Chan, Sascha Brass, et al.Journal of Molecular Modeling|June 14, 2011
Virtual screening for potential inhibitors of bacterial MurC and MurD ligasesTihomir Tomašić, Andreja Kovač, Gerhard Klebe, et al.Bioorganic & Medicinal Chemistry|August 10, 2016
Occupying a flat subpocket in a tRNA-modifying enzyme with ordered or disordered side chains: Favorable or unfavorable for binding?Manuel Neeb, Christoph Hohn, Frederik Rainer Ehrmann, et al.Pageof 25