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Publications by Gerhard Klebe

Intriguing Role of Water in Protein-Ligand Binding Studied by Neutron Crystallography on Trypsin Complexes

Nature Communications
AstronomyGeneticsMolecular BiologyBiochemistryChemistryPhysics
2018English

On the Validity of Popular Assumptions in Computational Drug Design

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2011English

A New Method for Rapid Comparison of Protein Binding Pockets by Capturing Spatial Distributions

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2014English

Diamond Amino Acid-Based Peptide Kinase a Inhibitor Analogues

ChemMedChem
Organic ChemistryMolecular MedicinePharmacologyBiochemistryToxicologyDrug DiscoveryPharmaceutics
2019English

A Fast Flexible Docking Method Using an Incremental Construction Algorithm

Journal of Molecular Biology
Structural BiologyMolecular BiologyBiophysics
1996English

An Essential Role for Aspartate 264 in Catalysis by tRNA-Guanine Transglycosylase fromEscherichia Coli

Journal of Biological Chemistry
BiochemistryCell BiologyMolecular Biology
2003English

Crystal Structure of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase, a Crucial Enzyme in the Non-Mevalonate Pathway of Isoprenoid Biosynthesis

Journal of Biological Chemistry
BiochemistryCell BiologyMolecular Biology
2001English

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