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Chemistry
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2022

D-Index & Metrics

Best Scientists

D-Index
197
Citations
193312
World Ranking
325
National Ranking
216

Chemistry

D-Index
197
Citations
197910
World Ranking
20
National Ranking
13

Martin Karplus 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 Martin Karplus 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: 644 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: 253 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: 888 publications — 98th percentile

98% of scientists in this discipline score the same or lower.

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

Martin Karplus 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 Martin Karplus 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: 776 scientists 68–69 D-Index: 683 scientists 70–71 D-Index: 647 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: 197 D-Index — 100th percentile

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

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

Research.com Recognitions

  • 2025 - Research.com Best Scientists Award
  • 2022 - Research.com Chemistry in United States Leader Award
  • 2013 - Nobel Prize for the development of multiscale models for complex chemical systems
  • 2004 - Linus Pauling Award, American Chemical Society (ACS)
  • 2000 - Fellow of the Royal Society, United Kingdom
  • 1991 - Royal Netherlands Academy of Arts and Sciences
  • 1987 - Fellow of John Simon Guggenheim Memorial Foundation
  • 1987 - Irving Langmuir Award, American Chemical Society (ACS)
  • 1967 - Member of the National Academy of Sciences
  • 1967 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 1966 - Fellow of the American Academy of Arts and Sciences
  • 1959 - Fellow of Alfred P. Sloan Foundation

Overview

Martin Karplus was affiliated with Harvard University in the United States. Their research focused predominantly on the field of Biochemistry, Genetics, and Molecular Biology, contributing a total of 35 publications. Within this broad field, their subfield expertise included Molecular Biology, Atomic and Molecular Physics and Optics, Cell Biology, Radiology, Nuclear Medicine and Imaging, and Materials Chemistry.

The scientist's main topics of work encompassed Protein Structure and Dynamics, Spectroscopy and Quantum Chemical Studies, Hemoglobin Structure and Function, Monoclonal and Polyclonal Antibodies Research, vaccines and immunoinformatics approaches, SARS-CoV-2 and COVID-19 Research, and Enzyme Structure and Function.

Martin Karplus contributed to a number of scholarly articles, including:

  • CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed (2024) - The Journal of Physical Chemistry B
  • The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase (2020) - Nature Communications
  • Water Dynamics Around Proteins: T- and R-States of Hemoglobin and Melittin (2020) - The Journal of Physical Chemistry B
  • Design of immunogens to elicit broadly neutralizing antibodies against HIV targeting the CD4 binding site (2021) - Proceedings of the National Academy of Sciences
  • Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV (2022) - PLoS Computational Biology

Frequent collaborators in their work included:

  • Victor Ovchinnikov
  • Markus Meuwly
  • Simone Conti
  • Marco Pezzella
  • Adam P. Willard

Martin Karplus's research appeared often in several publication venues such as:

  • The Journal of Physical Chemistry B
  • Journal of Computational Chemistry
  • arXiv (Cornell University)
  • Methods in Molecular Biology
  • The Journal of Chemical Physics

They also contributed to book publications, notably a book titled Facetten meines Lebens published by Verlag der österreichischen Akademie der Wissenschaften eBooks in 2022.

The scientist received numerous awards during their career. These include the Nobel Prize in 2013 for the development of multiscale models for complex chemical systems, the Linus Pauling Award from the American Chemical Society in 2004, Fellowship of the Royal Society of the United Kingdom in 2000, membership in the Royal Netherlands Academy of Arts and Sciences in 1991, and the Irving Langmuir Award from the American Chemical Society in 1987.

Other recognitions comprised Fellowships at the John Simon Guggenheim Memorial Foundation (1987), the American Association for the Advancement of Science (1967), the American Academy of Arts and Sciences (1966), and the Alfred P. Sloan Foundation (1959), as well as membership in the National Academy of Sciences (1967).

Best Publications

  • All-atom empirical potential for molecular modeling and dynamics studies of proteins.

    A. D. MacKerell;D. Bashford;M. Bellott;R. L. Dunbrack

  • CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

    Bernard R. Brooks;Robert E. Bruccoleri;Barry D. Olafson;David J. States

  • CHARMM: the biomolecular simulation program.

    B. R. Brooks;C. L. Brooks;A. D. Mackerell;L. Nilsson

  • Contact Electron‐Spin Coupling of Nuclear Magnetic Moments

    Martin Karplus

  • Molecular dynamics simulations of biomolecules

    Martin Karplus;J. Andrew McCammon

  • Vicinal Proton Coupling in Nuclear Magnetic Resonance

    Martin. Karplus

  • A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

    M. J. Field;Paul A. Bash;Martin Karplus

  • Crystallographic R Factor Refinement by Molecular Dynamics

    Axel T. Brünger;John Kuriyan;Martin Karplus

  • Dynamics of folded proteins

    J A Mccammon;B R Gelin;M Karplus

  • Simulation of activation free energies in molecular systems

    Eyal Neria;Stefan Fischer;Martin Karplus

  • pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model.

    Donald Bashford;Martin Karplus

  • Effective energy function for proteins in solution.

    Themis Lazaridis;Martin Karplus

  • Molecular dynamics simulations in biology.

    Martin Karplus;Gregory A. Petsko

  • Evaluation of comparative protein modeling by MODELLER.

    A. Sali;L. Potterton;Feng Yuan;H. Van Vlijmen

  • How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations

    Mireia Garcia-Viloca;Jiali Gao;Martin Karplus;Martin Karplus;Donald G. Truhlar

  • Collective motions in proteins: a covariance analysis of atomic fluctuations in molecular dynamics and normal mode simulations.

    Toshiko Ichiye;Martin Karplus

  • Molecular dynamics and protein function

    M. Karplus;J. Kuriyan

  • How does a protein fold

    Andrej Šali;Eugene Shakhnovich;Martin Karplus

  • A hierarchy of timescales in protein dynamics is linked to enzyme catalysis.

    Katherine A. Henzler-Wildman;Ming Lei;Vu Thai;S. Jordan Kerns

  • Backbone-dependent Rotamer Library for Proteins Application to Side-chain Prediction

    Roland L. Dunbrack;Martin Karplus

  • Proteins: A Theoretical Perspective of Dynamics, Structure, and Thermodynamics

    C. L. Brooks;M. Karplus;B. Montgomery Pettitt;Robert H. Austin

  • Protein Folding: A Perspective from Theory and Experiment.

    Christopher M. Dobson;Andrej Šali;Martin Karplus

Frequent Co-Authors

Christopher M. Dobson
Christopher M. Dobson University of Cambridge
Axel T. Brunger
Axel T. Brunger Stanford University
B. Montgomery Pettitt
B. Montgomery Pettitt The University of Texas Medical Branch at Galveston
Charles L. Brooks
Charles L. Brooks University of Michigan–Ann Arbor
Qiang Cui
Qiang Cui Boston University
Jianpeng Ma
Jianpeng Ma Baylor College of Medicine
Gregory A. Petsko
Gregory A. Petsko Cornell University
John Kuriyan
John Kuriyan Vanderbilt University
Gregory L. Verdine
Gregory L. Verdine Harvard University

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