Martin Karplus

154.9k total citations · 41 hit papers
784 papers, 107.9k citations indexed

About

Martin Karplus is a scholar working on Molecular Biology, Atomic and Molecular Physics, and Optics and Materials Chemistry. According to data from OpenAlex, Martin Karplus has authored 784 papers receiving a total of 107.9k indexed citations (citations by other indexed papers that have themselves been cited), including 505 papers in Molecular Biology, 315 papers in Atomic and Molecular Physics, and Optics and 206 papers in Materials Chemistry. Recurrent topics in Martin Karplus's work include Protein Structure and Dynamics (374 papers), Spectroscopy and Quantum Chemical Studies (200 papers) and Enzyme Structure and Function (169 papers). Martin Karplus is often cited by papers focused on Protein Structure and Dynamics (374 papers), Spectroscopy and Quantum Chemical Studies (200 papers) and Enzyme Structure and Function (169 papers). Martin Karplus collaborates with scholars based in United States, France and United Kingdom. Martin Karplus's co-authors include Robert E. Bruccoleri, J. Andrew McCammon, Bernard R. Brooks, David J. States, S. Swaminathan, Barry D. Olafson, Axel T. Brünger, John Kuriyan, Themis Lazaridis and Charles L. Brooks and has published in prestigious journals such as Nature, Science and Cell.

In The Last Decade

Martin Karplus

782 papers receiving 104.1k citations

Hit Papers

CHARMM: A program for macromolecular energy, minimizati... 1959 2026 1981 2003 1983 1959 2002 1963 1990 4.0k 8.0k 12.0k
What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

  1. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
    1983 12.9k citations Martin Karplus et al. Journal of Computational Chemistry profile →
  2. Contact Electron-Spin Coupling of Nuclear Magnetic Moments
    1959 2.5k citations Martin Karplus The Journal of Chemical Physics profile →
  3. Molecular dynamics simulations of biomolecules
    2002 2.4k citations Martin Karplus et al. profile →
  4. Vicinal Proton Coupling in Nuclear Magnetic Resonance
    1963 2.1k citations Martin Karplus profile →
  5. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
    1990 2.0k citations Paul A. Bash, Martin Karplus et al. Journal of Computational Chemistry profile →
  6. Crystallographic R Factor Refinement by Molecular Dynamics
    1987 1.8k citations John Kuriyan, Martin Karplus et al. profile →
  7. Dynamics of folded proteins
    1977 1.3k citations Martin Karplus et al. Nature profile →
  8. Simulation of activation free energies in molecular systems
    1996 1.1k citations Martin Karplus et al. The Journal of Chemical Physics profile →
  9. Effective energy function for proteins in solution
    1999 1.1k citations Martin Karplus et al. profile →
  10. Evaluation of comparative protein modeling by MODELLER
    1995 930 citations Martin Karplus et al. profile →
  11. pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
    1990 925 citations Martin Karplus et al. Biochemistry profile →
  12. How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations
    2004 912 citations Martin Karplus et al. profile →
  13. A hierarchy of timescales in protein dynamics is linked to enzyme catalysis
    2007 872 citations Martin Karplus et al. Nature profile →
  14. Molecular dynamics and protein function
    2005 861 citations Martin Karplus, John Kuriyan Proceedings of the National Academy of Sciences profile →
  15. Collective motions in proteins: A covariance analysis of atomic fluctuations in molecular dynamics and normal mode simulations
    1991 856 citations Martin Karplus et al. profile →
  16. Exchange Reactions with Activation Energy. I. Simple Barrier Potential for (H, H2)
    1965 826 citations Martin Karplus et al. The Journal of Chemical Physics profile →
  17. Molecular dynamics simulations in biology
    1990 818 citations Martin Karplus et al. Nature profile →
  18. How does a protein fold?
    1994 782 citations Martin Karplus et al. Nature profile →
  19. Intrinsic motions along an enzymatic reaction trajectory
    2007 734 citations Gregory A. Petsko, Martin Karplus et al. Nature profile →
  20. Method for estimating the configurational entropy of macromolecules
    1981 724 citations Martin Karplus et al. profile →
  21. Protein Folding: A Perspective from Theory and Experiment
    1998 720 citations Martin Karplus et al. profile →
  22. Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor.
    1983 693 citations Martin Karplus et al. Proceedings of the National Academy of Sciences profile →
  23. The topology of multidimensional potential energy surfaces: Theory and application to peptide structure and kinetics
    1997 633 citations Martin Karplus et al. The Journal of Chemical Physics profile →
  24. Calculation of ground and excited state potential surfaces of conjugated molecules. I. Formulation and parametrization
    1972 631 citations Martin Karplus et al. profile →
  25. Proteins: A Theoretical Perspective of Dynamics, Structure and Thermodynamics
    1990 602 citations Martin Karplus et al. profile →
  26. Conserved Sequence and Structural Elements in the HIV-1 Principal Neutralizing Determinant
    1990 579 citations Martin Karplus et al. profile →
  27. An all-atom empirical energy function for the simulation of nucleic acids
    1995 576 citations Martin Karplus et al. profile →
  28. Potential Energy Surface for H3
    1964 568 citations Martin Karplus et al. The Journal of Chemical Physics profile →
  29. Multiple Conformational States of Proteins: A Molecular Dynamics Analysis of Myoglobin
    1987 540 citations Martin Karplus et al. profile →
  30. Allostery and cooperativity revisited
    2008 537 citations Martin Karplus et al. profile →
  31. A QM/MM Implementation of the Self-Consistent Charge Density Functional Tight Binding (SCC-DFTB) Method
    2000 519 citations Martin Karplus et al. profile →
  32. Protein-folding dynamics
    1976 509 citations Martin Karplus et al. Nature profile →
  33. Aspects of Time-Dependent Perturbation Theory
    1972 499 citations Martin Karplus et al. profile →
  34. Stochastic boundary conditions for molecular dynamics simulations of ST2 water
    1984 472 citations Martin Karplus et al. profile →
  35. Theoretical Interpretation of Carbon-13 Hyperfine Interactions in Electron Spin Resonance Spectra
    1961 467 citations Martin Karplus et al. The Journal of Chemical Physics profile →
  36. X-ray structure and refinement of carbon-monoxy (Fe II)-myoglobin at 1.5 Å resolution
    1986 460 citations John Kuriyan, Martin Karplus et al. Journal of Molecular Biology profile →
  37. Theory of Carbon NMR Chemical Shifts in Conjugated Molecules
    1963 440 citations Martin Karplus et al. The Journal of Chemical Physics profile →
  38. Harmonic analysis of large systems. I. Methodology
    1995 434 citations Martin Karplus et al. Journal of Computational Chemistry profile →
  39. Enhanced sampling in molecular dynamics: use of the time-dependent Hartree approximation for a simulation of carbon monoxide diffusion through myoglobin
    1990 433 citations Martin Karplus et al. profile →
  40. On the origin of a low-lying forbidden transition in polyenes and related molecules
    1972 419 citations Martin Karplus et al. profile →
  41. Absolute pKa calculations with continuum dielectric methods
    1991 356 citations Martin Karplus et al. profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name h Career Trend Papers Cites
Martin Karplus United States 155 69.5k 29.4k 28.2k 17.5k 10.5k 784 107.9k
Peter A. Kollman United States 105 68.8k 1.0× 22.8k 0.8× 22.5k 0.8× 14.5k 0.8× 17.0k 1.6× 458 116.3k
Herman J. C. Berendsen Netherlands 67 60.3k 0.9× 23.3k 0.8× 24.0k 0.9× 10.2k 0.6× 11.8k 1.1× 164 112.9k
Klaus Schulten United States 126 63.9k 0.9× 21.5k 0.7× 23.6k 0.8× 8.0k 0.5× 10.3k 1.0× 532 120.6k
William L. Jorgensen United States 109 46.8k 0.7× 26.4k 0.9× 20.8k 0.7× 11.8k 0.7× 18.7k 1.8× 466 104.8k
Michael L. Klein United States 110 39.2k 0.6× 28.4k 1.0× 23.0k 0.8× 8.5k 0.5× 12.4k 1.2× 876 94.5k
Michele Parrinello Switzerland 135 33.5k 0.5× 38.2k 1.3× 40.5k 1.4× 11.1k 0.6× 10.5k 1.0× 672 113.7k
David A. Case United States 96 52.2k 0.8× 10.6k 0.4× 14.9k 0.5× 8.4k 0.5× 9.3k 0.9× 340 81.1k
J. Andrew McCammon United States 118 50.8k 0.7× 12.7k 0.4× 13.7k 0.5× 6.4k 0.4× 5.8k 0.5× 841 71.8k
Wilfred F. van Gunsteren Switzerland 99 40.3k 0.6× 16.4k 0.6× 18.1k 0.6× 8.1k 0.5× 7.6k 0.7× 531 70.0k
Harold A. Scheraga United States 113 41.8k 0.6× 9.2k 0.3× 18.5k 0.7× 10.7k 0.6× 6.4k 0.6× 1.2k 60.7k

Countries citing papers authored by Martin Karplus

Since Specialization
Citations

This map shows the geographic impact of Martin Karplus's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Martin Karplus with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Martin Karplus more than expected).

Fields of papers citing papers by Martin Karplus

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Martin Karplus. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Martin Karplus. The network helps show where Martin Karplus may publish in the future.

Co-authorship network of co-authors of Martin Karplus

This figure shows the co-authorship network connecting the top 25 collaborators of Martin Karplus. A scholar is included among the top collaborators of Martin Karplus based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Martin Karplus. Martin Karplus is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
Karplus, Martin, et al.. (2024). High‐throughput molecular simulations of SARS‐CoV‐2 receptor binding domain mutants quantify correlations between dynamic fluctuations and protein expression. Journal of Computational Chemistry. 46(1). e27512–e27512. 1 indexed citations
2.
Conti, Simone, et al.. (2022). Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV. PLoS Computational Biology. 18(4). e1009391–e1009391. 9 indexed citations
3.
Willard, Adam P., et al.. (2022). Water dynamics around T vs R4 of hemoglobin from local hydrophobicity analysis. The Journal of Chemical Physics. 158(2). 25101–25101. 2 indexed citations
4.
Conti, Simone, Victor Ovchinnikov, & Martin Karplus. (2022). ppdx: Automated modeling of protein–protein interaction descriptors for use with machine learning. Journal of Computational Chemistry. 43(25). 1747–1757. 6 indexed citations
5.
Ovchinnikov, Victor, et al.. (2018). Role of framework mutations and antibody flexibility in the evolution of broadly neutralizing antibodies. eLife. 7. 64 indexed citations
6.
Hage, Krystel El, et al.. (2018). Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size. eLife. 7. 64 indexed citations
7.
Klein, Mason, Sergei V. Krivov, Anggie J Ferrer, et al.. (2017). Exploratory search during directed navigation in C. elegans and Drosophila larva. eLife. 6. 23 indexed citations
8.
Qi, Yan, Kwangho Nam, Anirban Banerjee, et al.. (2012). Strandwise translocation of a DNA glycosylase on undamaged DNA. Proceedings of the National Academy of Sciences. 109(4). 1086–1091. 27 indexed citations
9.
Fischer, Stefan, Kenneth W. Olsen, Kwangho Nam, & Martin Karplus. (2011). Unsuspected pathway of the allosteric transition in hemoglobin. Proceedings of the National Academy of Sciences. 108(14). 5608–5613. 67 indexed citations
10.
Ovchinnikov, Victor, Bernhardt L. Trout, & Martin Karplus. (2009). Mechanical Coupling in Myosin V: A Simulation Study. DSpace@MIT (Massachusetts Institute of Technology). 1 indexed citations
11.
Pu, Jingzhi & Martin Karplus. (2008). How subunit coupling produces the γ-subunit rotary motion in F 1 -ATPase. Proceedings of the National Academy of Sciences. 105(4). 1192–1197. 97 indexed citations
12.
Cecchini, Marco, Anne Houdusse, & Martin Karplus. (2008). Allosteric Communication in Myosin V: From Small Conformational Changes to Large Directed Movements. PLoS Computational Biology. 4(8). e1000129–e1000129. 73 indexed citations
13.
Levinson, Nicholas M., Kui Shen, Matthew A. Young, et al.. (2006). A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain. PLoS Biology. 4(5). e144–e144. 257 indexed citations
14.
Finney, John, Daniel T. Bowron, Peter G. Wolynes, et al.. (2005). Experimental configurational landscapes in aqueous solutions. Discussion. 363(1827). 469–492. 1 indexed citations
15.
Krivov, Sergei V. & Martin Karplus. (2004). Hidden complexity of free energy surfaces for peptide (protein) folding. Proceedings of the National Academy of Sciences. 101(41). 14766–14770. 281 indexed citations
16.
Hwang, Wonmuk, Shuguang Zhang, Roger D. Kamm, & Martin Karplus. (2004). Kinetic control of dimer structure formation in amyloid fibrillogenesis. Proceedings of the National Academy of Sciences. 101(35). 12916–12921. 160 indexed citations
17.
Dinner, Aaron R., G. Michael Blackburn, & Martin Karplus. (2001). Uracil-DNA glycosylase acts by substrate autocatalysis. Nature. 413(6857). 752–755. 191 indexed citations
18.
Dinner, Aaron R., et al.. (1999). Use of a quantitative structure–property relationship to design larger model proteins that fold rapidly. Protein Engineering Design and Selection. 12(11). 909–917. 7 indexed citations
19.
Schaefer, Michael, Christian Bartels, & Martin Karplus. (1998). Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model. Journal of Molecular Biology. 284(3). 835–848. 216 indexed citations
20.
Davenport, R., Paul A. Bash, Barbara A. Seaton, et al.. (1991). Structure of the triosephosphate isomerase-phosphoglycolohydroxamate complex: an analog of the intermediate on the reaction pathway. Biochemistry. 30(24). 5821–5826. 185 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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Breakdown of academic impact, for papers by Peter A. Kollman Breakdown of academic impact, for papers by Herman J. C. Berendsen Breakdown of academic impact, for papers by Klaus Schulten Breakdown of academic impact, for papers by William L. Jorgensen Breakdown of academic impact, for papers by Michael L. Klein Breakdown of academic impact, for papers by Michele Parrinello Breakdown of academic impact, for papers by David A. Case Breakdown of academic impact, for papers by J. Andrew McCammon Breakdown of academic impact, for papers by Wilfred F. van Gunsteren Breakdown of academic impact, for papers by Harold A. Scheraga
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