Publications by authors named "Bernhard Baum"

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Structures of Pseudomonas aeruginosa β-ketoacyl-(acyl-carrier-protein) synthase II (FabF) and a C164Q mutant provide templates for antibacterial drug discovery and identify a buried potassium ion and a ligand-binding site that is an artefact of the crystal form.
Bernhard Baum, Laura S M Lecker, Martin Zoltner, Elmar Jaenicke, Robert Schnell

Acta Crystallogr F Struct Biol Commun· August 2015

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Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling.
Torsten Steinmetzer, Bernhard Baum, Adam Biela, Gerhard Klebe, Götz Nowak

ChemMedChem· November 2012

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Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties.
Tobias Brandt, Nicole Holzmann, Laveena Muley, Maan Khayat, Christof Wegscheid-Gerlach, Bernhard Baum

J Mol Biol· February 2011

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Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry.
Bernhard Baum, Laveena Muley, Michael Smolinski, Andreas Heine, David Hangauer

J Mol Biol· April 2010

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Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors.
Laveena Muley, Bernhard Baum, Michael Smolinski, Marek Freindorf, Andreas Heine

J Med Chem· March 2010

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Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.
Bernhard Baum, Laveena Muley, Andreas Heine, Michael Smolinski, David Hangauer

J Mol Biol· August 2009

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More than a simple lipophilic contact: a detailed thermodynamic analysis of nonbasic residues in the s1 pocket of thrombin.
Bernhard Baum, Menshawy Mohamed, Mohamed Zayed, Christof Gerlach, Andreas Heine

J Mol Biol· July 2009

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KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding.
Christof Gerlach, Martin Münzel, Bernhard Baum, Hans-Dieter Gerber, Tobias Craan

Angew Chem Int Ed Engl· January 2008

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