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G. Klebe

Active 1986–2024

123
Papers
19,627
Citations
70
h-index
119
i10-index

Citations

Citations per year for G. Klebe1958: 1 citations1968: 3 citations1973: 3 citations1976: 3 citations1977: 1 citations1981: 1 citations1983: 1 citations1986: 4 citations1987: 1 citations1991: 8 citations1992: 2 citations1993: 5 citations1994: 5 citations1995: 20 citations1996: 33 citations1997: 70 citations1998: 66 citations1999: 68 citations2000: 113 citations2001: 124 citations2002: 195 citations2003: 223 citations2004: 335 citations2005: 365 citations2006: 367 citations2007: 340 citations2008: 404 citations2009: 454 citations2010: 416 citations2011: 424 citations2012: 327 citations2013: 365 citations2014: 313 citations2015: 293 citations2016: 300 citations2017: 214 citations2018: 241 citations2019: 401 citations2020: 445 citations2021: 378 citations2022: 351 citations2023: 215 citations2024: 337 citations2025: 172 citations2026: 31 citations1959–1967: no citations, so these years are not shown1969–1972: no citations, so these years are not shown1974–1975: no citations, so these years are not shown1978–1980: no citations, so these years are not shown1982: no citations, so this year is not shown1984–1985: no citations, so these years are not shown1988–1990: no citations, so these years are not shown

Citation sources

Countries

World map of the countries and regions citing this authorUnited States: 1,721 citing papers, 21.8% of this breakdownGermany: 870 citing papers, 11% of this breakdownChina: 596 citing papers, 7.5% of this breakdownUnited Kingdom: 573 citing papers, 7.2% of this breakdownIndia: 431 citing papers, 5.5% of this breakdownItaly: 356 citing papers, 4.5% of this breakdownFrance: 277 citing papers, 3.5% of this breakdownSwitzerland: 220 citing papers, 2.8% of this breakdownJapan: 184 citing papers, 2.3% of this breakdownSpain: 176 citing papers, 2.2% of this breakdownCanada: 151 citing papers, 1.9% of this breakdownSweden: 142 citing papers, 1.8% of this breakdown
0%21.8%Other 28%

Institutions

Fields

  • Computer Science46.1%
  • Biochemistry, Genetics and Molecular Biology29.4%
  • Medicine10.5%
  • Chemistry6.4%
  • Materials Science2.8%
  • Engineering0.8%
  • Other4%

Topics

  • Computational Drug Discovery Methods21.6%
  • Protein Structure and Dynamics11.6%
  • Enzyme Structure and Function3.6%
  • Chemical Synthesis and Analysis2.9%
  • Synthesis and biological activity2.3%
  • Click Chemistry and Applications2.2%
  • Other55.8%

Coauthors

All papers

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  1. A Fast Flexible Docking Method using an Incremental Construction Algorithm

    Authors: Matthias Rarey, Bernd Krämer, Thomas Lengauer, G. Klebe - Journal of Molecular Biology 1996 cited by 2,813

  2. Knowledge-based scoring function to predict protein-ligand interactions

    Authors: Holger Gohlke, Manfred Hendlich, G. Klebe - Journal of Molecular Biology 2000 cited by 1,159

  3. Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity

    Authors: G. Klebe, Ute Abraham, Thomas Mietzner - Journal of Medicinal Chemistry 1994 cited by 1,813

  4. Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes

    Authors: J. Schiebel, Roberto Gaspari, Tobias Wulsdorf, K. Ngo, Christian Sohn, Tobias E. Schrader, Andrea Cavalli, Andreas Ostermann, A. Heine, G. Klebe - Nature Communications 2018 cited by 248

  5. Approaches to the Description and Prediction of the Binding Affinity of Small-Molecule Ligands to Macromolecular Receptors

    Authors: Holger Gohlke, G. Klebe - Angewandte Chemie International Edition 2002 cited by 833

  6. Virtual ligand screening: strategies, perspectives and limitations

    Authors: G. Klebe - Drug Discovery Today 2006 cited by 658

  7. Six Biophysical Screening Methods Miss a Large Proportion of Crystallographically Discovered Fragment Hits: A Case Study

    Authors: J. Schiebel, Nedyalka Radeva, S.G. Krimmer, Xiaojie Wang, Martin Stieler, F.R. Ehrmann, Kan Fu, A. Metz, Franziska U. Huschmann, M.S. Weiss, U. Müeller, A. Heine, G. Klebe - ACS Chemical Biology 2016 cited by 128

  8. DrugScore CSD Knowledge-Based Scoring Function Derived from Small Molecule Crystal Data with Superior Recognition Rate of Near-Native Ligand Poses and Better Affinity Prediction

    Authors: Hans F. G. Velec, Holger Gohlke, G. Klebe - Journal of Medicinal Chemistry 2005 cited by 340

  9. Magnet for the Needle in Haystack: “Crystal Structure First” Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces

    Authors: Janis Müller, Raphael Klein, Olga O. Tarkhanova, Anastasiia Gryniukova, Petro Borysko, Stefan Merkl, Moritz Ruf, Alexander Neumann, Marcus Gastreich, Yurii S. Moroz, G. Klebe, Serghei Glinca - Journal of Medicinal Chemistry 2022 cited by 44

  10. Applying thermodynamic profiling in lead finding and optimization

    Authors: G. Klebe - Nature Reviews Drug Discovery 2015 cited by 292

  11. Adding calorimetric data to decision making in lead discovery: a hot tip

    Authors: John E. Ladbury, G. Klebe, Ernesto Freire - Nature Reviews Drug Discovery 2009 cited by 399

  12. DSX: A Knowledge-Based Scoring Function for the Assessment of Protein-Ligand Complexes

    Authors: Gerd Neudert, G. Klebe - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2011 cited by 264

  13. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening

    Authors: J. Wollenhaupt, A. Metz, T. Barthel, G.M.A. Lima, A. Heine, U. Müeller, G. Klebe, M.S. Weiss - Structure 2020 cited by 55

  14. Unexpected Nanomolar Inhibition of Carbonic Anhydrase by COX-2-Selective Celecoxib: New Pharmacological Opportunities Due to Related Binding Site Recognition

    Authors: Alexander Weber, Angela Casini, A. Heine, Daniel Kühn, Claudiu T. Supuran, Andrea Scozzafava, G. Klebe - Journal of Medicinal Chemistry 2003 cited by 454

  15. One Question, Multiple Answers: Biochemical and Biophysical Screening Methods Retrieve Deviating Fragment Hit Lists

    Authors: J. Schiebel, Nedyalka Radeva, Helene Köster, A. Metz, Timo Krotzky, Maren Kuhnert, Wibke E. Diederich, A. Heine, Lars Neumann, Cédric Atmanène, Dominique Roecklin, Valérie Vivat‐Hannah, Jean‐Paul Renaud, Robert Meinecke, Nina Schlinck, Astrid Sitte, Franziska Popp, Markus Zeeb, G. Klebe - ChemMedChem 2015 cited by 69

  16. Phospholamban pentamerization increases sensitivity and dynamic range of cardiac relaxation

    Authors: Florian Funk, Annette Kronenbitter, Katarzyna Hackert, M. Oebbeke, G. Klebe, Mareike Barth, Daniel Koch, Joachim P. Schmitt - Cardiovascular Research 2023 cited by 21

  17. Assessing Scoring Functions for Protein−Ligand Interactions

    Authors: Philippe Ferrara, Holger Gohlke, D.J. Price, G. Klebe, Charles L. Brooks - Journal of Medicinal Chemistry 2004 cited by 482

  18. More than a Simple Lipophilic Contact: A Detailed Thermodynamic Analysis of Nonbasic Residues in the S1 Pocket of Thrombin

    Authors: Bernhard Baum, Menshawy Mohamed, Mohamed F. Zayed, Christof Gerlach, A. Heine, David Hangauer, G. Klebe - Journal of Molecular Biology 2009 cited by 131

  19. Protein-Ligand Complex Solvation Thermodynamics: Development, Parameterization, and Testing of GIST-Based Solvent Functionals

    Authors: T. Hüfner, G. Klebe - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2020 cited by 28

  20. Protein–Ligand Interactions as the Basis for Drug Action

    Authors: G. Klebe - Drug Design 2013 cited by 24

  21. A New Method to Detect Related Function Among Proteins Independent of Sequence and Fold Homology

    Authors: Stefan Schmitt, Daniel Kühn, G. Klebe - Journal of Molecular Biology 2002 cited by 423

  22. FlexS: A Method for Fast Flexible Ligand Superposition

    Authors: Christian Lemmen, Thomas Lengauer, G. Klebe - Journal of Medicinal Chemistry 1998 cited by 242

  23. Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste

    Authors: Karen Köhler, Alexander Hillebrecht, Johannes Schulze Wischeler, Alessio Innocenti, A. Heine, Claudiu T. Supuran, G. Klebe - Angewandte Chemie International Edition 2007 cited by 179

  24. Non-additivity of Functional Group Contributions in Protein–Ligand Binding: A Comprehensive Study by Crystallography and Isothermal Titration Calorimetry

    Authors: Bernhard Baum, Laveena Muley, Michael Smolinski, A. Heine, David Hangauer, G. Klebe - Journal of Molecular Biology 2010 cited by 162