World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
84
Citations
35907
World Ranking
2756
National Ranking
205

Gerhard Klebe publication distribution in Chemistry in 2026

The chart shows the distribution of publications by all Research.com ranked scientists in the field of Chemistry in 2026. The highlighted bar marks where Gerhard Klebe sits on this spectrum.

61–80 publications: 66 scientists 81–100 publications: 302 scientists 101–120 publications: 623 scientists 121–140 publications: 918 scientists 141–160 publications: 1,218 scientists 161–180 publications: 1,350 scientists 181–200 publications: 1,344 scientists 201–220 publications: 1,281 scientists 221–240 publications: 1,216 scientists 241–260 publications: 1,100 scientists 261–280 publications: 979 scientists 281–300 publications: 939 scientists 301–320 publications: 764 scientists 321–340 publications: 643 scientists 341–360 publications: 628 scientists 361–380 publications: 522 scientists 381–400 publications: 459 scientists 401–420 publications: 397 scientists 421–440 publications: 327 scientists 441–460 publications: 270 scientists 461–480 publications: 265 scientists 481–500 publications: 252 scientists 501–520 publications: 201 scientists 521–540 publications: 185 scientists 541–560 publications: 148 scientists 561–580 publications: 148 scientists 581–600 publications: 132 scientists 601–620 publications: 114 scientists 621–640 publications: 104 scientists 641–660 publications: 91 scientists 661–680 publications: 92 scientists 681–700 publications: 73 scientists 701–720 publications: 57 scientists 721–740 publications: 54 scientists 741–760 publications: 67 scientists 761–780 publications: 45 scientists 781–800 publications: 46 scientists 801–820 publications: 39 scientists 821–840 publications: 32 scientists 841–860 publications: 36 scientists 861–880 publications: 29 scientists 881–900 publications: 26 scientists 901–920 publications: 24 scientists 921–940 publications: 14 scientists 941–960 publications: 23 scientists 961–980 publications: 28 scientists 981–1,000 publications: 15 scientists 1,001–1,020 publications: 29 scientists 1,021–1,040 publications: 12 scientists 1,041–1,060 publications: 19 scientists 1,061–1,080 publications: 12 scientists 1,081–1,100 publications: 6 scientists 1,101–1,120 publications: 8 scientists 1,121–1,140 publications: 12 scientists 1,141–1,160 publications: 5 scientists 1,161–1,180 publications: 6 scientists 1,181–1,200 publications: 14 scientists 1,201–1,220 publications: 7 scientists 1,221–1,240 publications: 2 scientists 1,241–1,260 publications: 6 scientists 1,261–1,280 publications: 4 scientists 1,281–1,294 publications: 6 scientists 1,295+ publications: 100 scientists
61 publications 1,295+

This scientist: 1,341 publications — 100th percentile

100% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 1,295 publications or more.

Gerhard Klebe D-index placement in Chemistry in 2026

The chart shows the D-index (discipline H-index) distribution of Chemistry scientists ranked by Research.com in 2026. The highlighted bar marks where Gerhard Klebe sits on this spectrum.

40–41 D-Index: 289 scientists 42–43 D-Index: 612 scientists 44–45 D-Index: 808 scientists 46–47 D-Index: 776 scientists 48–49 D-Index: 835 scientists 50–51 D-Index: 861 scientists 52–53 D-Index: 872 scientists 54–55 D-Index: 933 scientists 56–57 D-Index: 1,051 scientists 58–59 D-Index: 930 scientists 60–61 D-Index: 882 scientists 62–63 D-Index: 834 scientists 64–65 D-Index: 731 scientists 66–67 D-Index: 775 scientists 68–69 D-Index: 683 scientists 70–71 D-Index: 646 scientists 72–73 D-Index: 561 scientists 74–75 D-Index: 501 scientists 76–77 D-Index: 437 scientists 78–79 D-Index: 388 scientists 80–81 D-Index: 354 scientists 82–83 D-Index: 292 scientists 84–85 D-Index: 275 scientists 86–87 D-Index: 254 scientists 88–89 D-Index: 235 scientists 90–91 D-Index: 185 scientists 92–93 D-Index: 192 scientists 94–95 D-Index: 155 scientists 96–97 D-Index: 163 scientists 98–99 D-Index: 125 scientists 100–101 D-Index: 105 scientists 102–103 D-Index: 105 scientists 104–105 D-Index: 112 scientists 106–107 D-Index: 88 scientists 108–109 D-Index: 68 scientists 110–111 D-Index: 69 scientists 112–113 D-Index: 65 scientists 114–115 D-Index: 79 scientists 116–117 D-Index: 61 scientists 118–119 D-Index: 44 scientists 120–121 D-Index: 37 scientists 122–123 D-Index: 40 scientists 124–125 D-Index: 33 scientists 126–127 D-Index: 26 scientists 128–129 D-Index: 34 scientists 130–131 D-Index: 35 scientists 132–133 D-Index: 25 scientists 134–135 D-Index: 27 scientists 136–137 D-Index: 17 scientists 138–139 D-Index: 16 scientists 140–141 D-Index: 20 scientists 142–143 D-Index: 20 scientists 144–145 D-Index: 15 scientists 146–147 D-Index: 9 scientists 148–149 D-Index: 9 scientists 150–151 D-Index: 16 scientists 152–153 D-Index: 11 scientists 154–155 D-Index: 9 scientists 156–157 D-Index: 3 scientists 158 D-Index: 3 scientists 159+ D-Index: 98 scientists
40 D-Index 159+

This scientist: 84 D-Index — 85th percentile

85% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 159 D-Index or more.

Overview

Gerhard Klebe is affiliated with Philipp University of Marburg in Germany. Their research mainly focuses on Biochemistry, Genetics and Molecular Biology, with a significant number of publications in Molecular Biology, Materials Chemistry, Computational Theory and Mathematics, Organic Chemistry, and Cell Biology.

The scientist has contributed extensively to the study of enzyme and protein structures, with primary topics covering:

  • Enzyme Structure and Function
  • Protein Structure and Dynamics
  • Biochemical and Molecular Research
  • Computational Drug Discovery Methods
  • RNA and protein synthesis mechanisms
  • RNA modifications and cancer
  • Chemical Synthesis and Analysis

Klebe's work has been published frequently in several scientific journals, including:

  • ChemMedChem
  • ACS Chemical Biology
  • Journal of Medicinal Chemistry
  • Journal of Chemical Information and Modeling
  • Biomolecules

Among the recent papers authored or co-authored by Klebe are:

  • "F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening," 2020, Structure
  • "Magnet for the Needle in Haystack: 'Crystal Structure First' Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces," 2022, Journal of Medicinal Chemistry
  • "Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses," 2020, ChemMedChem
  • "Protein-Ligand Complex Solvation Thermodynamics: Development, Parameterization, and Testing of GIST-Based Solvent Functionals," 2020, Journal of Chemical Information and Modeling
  • "The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin," 2021, ACS Medicinal Chemistry Letters

Frequent co-authors collaborating with Klebe include:

  • A. Heine
  • J. Wollenhaupt
  • M.S. Weiss
  • T. Hüfner
  • Klaus Reuter

Best Publications

  • A Fast Flexible Docking Method using an Incremental Construction Algorithm

    Matthias Rarey;Bernd Kramer;Thomas Lengauer;Gerhard Klebe

  • Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity.

    Gerhard Klebe;Ute Abraham;Thomas Mietzner

  • PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations

    Todd J. Dolinsky;Paul Czodrowski;Hui Li;Jens E. Nielsen

  • Knowledge-based scoring function to predict protein-ligand interactions

    Holger Gohlke;Manfred Hendlich;Gerhard Klebe

  • Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors.

    Holger Gohlke;Gerhard Klebe

  • Virtual ligand screening: strategies, perspectives and limitations.

    Gerhard Klebe

  • Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures

    Jens Sadowski;Johann Gasteiger;Gerhard Klebe

  • Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa.

    Markus Böhm;Jörg Stürzebecher;Gerhard Klebe

  • Assessing scoring functions for protein-ligand interactions.

    Philippe Ferrara;Holger Gohlke;Daniel J. Price;Gerhard Klebe

  • A new method to detect related function among proteins independent of sequence and fold homology.

    Stefan Schmitt;Daniel Kuhn;Gerhard Klebe

  • Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition

    Alexander Weber;Angela Casini;Andreas Heine;Daniel Kuhn

  • A Radical Anion Salt of 2,5‐Dimethyl‐N,N′‐dicyanoquinonediimine with Extremely High Electrical Conductivity

    Alexander Aumüller;Peter Erk;Gerhard Klebe;Siegfried Hünig

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

    John E. Ladbury;Gerhard Klebe;Ernesto Freire

  • 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.

    Hans F G Velec;Holger Gohlke;Gerhard Klebe

  • What Can We Learn from Molecular Recognition in Protein–Ligand Complexes for the Design of New Drugs?

    Hans-Joachim Böhm;Gerhard Klebe

  • Relibase: design and development of a database for comprehensive analysis of protein-ligand interactions.

    Manfred Hendlich;Andreas Bergner;Judith Günther;Gerhard Klebe

  • Comparative molecular similarity index analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries.

    Gerhard Klebe;Ute Abraham

  • Recent developments in structure-based drug design

    Gerhard Klebe

  • Crystallochromy as a solid-state effect: correlation of molecular conformation, crystal packing and colour in perylene-3,4:9,10-bis(dicarboximide) pigments

    G. Klebe;F. Graser;E. Hädicke;J. Berndt

  • Applying thermodynamic profiling in lead finding and optimization

    Gerhard Klebe

Frequent Co-Authors

Milton T. Stubbs
Milton T. Stubbs Martin Luther University Halle-Wittenberg
Christoph A. Sotriffer
Christoph A. Sotriffer University of Würzburg
Eyke Hüllermeier
Eyke Hüllermeier Ludwig-Maximilians-Universität München
Holger Gohlke
Holger Gohlke Heinrich Heine University Düsseldorf
Claudiu T. Supuran
Claudiu T. Supuran University of Florence
Hartmut Fuess
Hartmut Fuess Technical University of Darmstadt
Daniel Rauh
Daniel Rauh TU Dortmund University
Rolf Müller
Rolf Müller Saarland University
Andre Mitschler
Andre Mitschler University of Strasbourg

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