World's Best Scientists 2026 revealed!

D-Index & Metrics

Molecular Biology

D-Index
115
Citations
61420
World Ranking
301
National Ranking
181

Chemistry

D-Index
113
Citations
59800
World Ranking
691
National Ranking
282

Vijay S. Pande publication distribution in Molecular Biology in 2026

The chart shows the distribution of publications by all Research.com ranked scientists in the field of Molecular Biology in 2026. The highlighted bar marks where Vijay S. Pande sits on this spectrum.

47–56 publications: 7 scientists 57–66 publications: 17 scientists 67–76 publications: 65 scientists 77–86 publications: 90 scientists 87–96 publications: 125 scientists 97–106 publications: 131 scientists 107–116 publications: 162 scientists 117–126 publications: 177 scientists 127–136 publications: 158 scientists 137–146 publications: 158 scientists 147–156 publications: 146 scientists 157–166 publications: 159 scientists 167–176 publications: 131 scientists 177–186 publications: 110 scientists 187–196 publications: 112 scientists 197–206 publications: 100 scientists 207–216 publications: 89 scientists 217–226 publications: 98 scientists 227–236 publications: 74 scientists 237–246 publications: 72 scientists 247–256 publications: 63 scientists 257–266 publications: 53 scientists 267–276 publications: 54 scientists 277–286 publications: 49 scientists 287–296 publications: 52 scientists 297–306 publications: 43 scientists 307–316 publications: 46 scientists 317–326 publications: 41 scientists 327–336 publications: 42 scientists 337–346 publications: 31 scientists 347–356 publications: 28 scientists 357–366 publications: 29 scientists 367–376 publications: 26 scientists 377–386 publications: 24 scientists 387–396 publications: 24 scientists 397–406 publications: 14 scientists 407–416 publications: 13 scientists 417–426 publications: 20 scientists 427–436 publications: 12 scientists 437–446 publications: 20 scientists 447–456 publications: 11 scientists 457–466 publications: 10 scientists 467–476 publications: 14 scientists 477–486 publications: 14 scientists 487–496 publications: 10 scientists 497–506 publications: 13 scientists 507–516 publications: 13 scientists 517–526 publications: 2 scientists 527–536 publications: 4 scientists 537–546 publications: 6 scientists 547–556 publications: 8 scientists 557–563 publications: 6 scientists 564+ publications: 100 scientists
47 publications 564+

This scientist: 393 publications — 90th percentile

90% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 564 publications or more.

Vijay S. Pande D-index placement in Molecular Biology in 2026

The chart shows the D-index (discipline H-index) distribution of Molecular Biology scientists ranked by Research.com in 2026. The highlighted bar marks where Vijay S. Pande sits on this spectrum.

40–41 D-Index: 36 scientists 42–43 D-Index: 101 scientists 44–45 D-Index: 115 scientists 46–47 D-Index: 121 scientists 48–49 D-Index: 118 scientists 50–51 D-Index: 130 scientists 52–53 D-Index: 106 scientists 54–55 D-Index: 116 scientists 56–57 D-Index: 113 scientists 58–59 D-Index: 129 scientists 60–61 D-Index: 120 scientists 62–63 D-Index: 105 scientists 64–65 D-Index: 131 scientists 66–67 D-Index: 95 scientists 68–69 D-Index: 97 scientists 70–71 D-Index: 106 scientists 72–73 D-Index: 83 scientists 74–75 D-Index: 89 scientists 76–77 D-Index: 77 scientists 78–79 D-Index: 70 scientists 80–81 D-Index: 73 scientists 82–83 D-Index: 60 scientists 84–85 D-Index: 48 scientists 86–87 D-Index: 45 scientists 88–89 D-Index: 50 scientists 90–91 D-Index: 31 scientists 92–93 D-Index: 51 scientists 94–95 D-Index: 43 scientists 96–97 D-Index: 38 scientists 98–99 D-Index: 39 scientists 100–101 D-Index: 41 scientists 102–103 D-Index: 29 scientists 104–105 D-Index: 33 scientists 106–107 D-Index: 35 scientists 108–109 D-Index: 20 scientists 110–111 D-Index: 38 scientists 112–113 D-Index: 19 scientists 114–115 D-Index: 28 scientists 116–117 D-Index: 13 scientists 118–119 D-Index: 23 scientists 120–121 D-Index: 16 scientists 122–123 D-Index: 15 scientists 124–125 D-Index: 11 scientists 126–127 D-Index: 21 scientists 128–129 D-Index: 7 scientists 130–131 D-Index: 13 scientists 132–133 D-Index: 14 scientists 134–135 D-Index: 17 scientists 136–137 D-Index: 9 scientists 138–139 D-Index: 8 scientists 140–141 D-Index: 16 scientists 142–143 D-Index: 7 scientists 144 D-Index: 7 scientists 145+ D-Index: 100 scientists
40 D-Index 145+

This scientist: 115 D-Index — 90th percentile

90% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 145 D-Index or more.

Research.com Recognitions

  • 2008 - Fellow of American Physical Society (APS) Citation For farreaching contributions to the quantitative distributed simulation, analysis, and understanding of kinetics and thermodynamics of biomolecular conformations and interactions, especially in the areas of protein folding and the role of water in confined environments

Overview

Vijay S. Pande is affiliated with Stanford University in the United States and conducts research primarily in the field of Biochemistry, Genetics, and Molecular Biology. Their work spans several subfields, including Molecular Biology, Materials Chemistry, Public Health, Environmental and Occupational Health, Computational Theory and Mathematics, and Atomic and Molecular Physics and Optics.

The scientist's research focuses on a range of topics, notably Protein Structure and Dynamics, Machine Learning in Materials Science, Computational Drug Discovery Methods, Genetics, Bioinformatics, and Biomedical Research. Additional research interests include Mosquito-borne Diseases and Control, Malaria Research and Control, and HIV Research and Treatment.

Recent published papers include:

  • OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials, 2023, The Journal of Physical Chemistry B
  • Improvement in ADMET Prediction with Multitask Deep Featurization, 2020, Journal of Medicinal Chemistry
  • Folding@home: Achievements from over 20 years of citizen science herald the exascale era, 2023, Biophysical Journal
  • OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials, 2023, arXiv (Cornell University)
  • Computational IR Spectroscopy of Insulin Dimer Structure and Conformational Heterogeneity, 2021, The Journal of Physical Chemistry B

Frequent co-authors in their publications include:

  • Peter Eastman
  • Raimondas Galvelis
  • Raúl P. Peláez
  • Charlles R. A. Abreu
  • Stephen E. Farr

Publications by this researcher commonly appear in venues such as:

  • The Journal of Physical Chemistry B
  • Biophysical Journal
  • arXiv (Cornell University)
  • Journal of Medicinal Chemistry
  • PLoS Computational Biology

Best Publications

  • CHARMM-GUI Input Generator for NAMD, Gromacs, Amber, Openmm, and CHARMM/OpenMM Simulations using the CHARMM36 Additive Force Field

    Jumin Lee;Xi Cheng;Jason M. Swails;Min Sun Yeom

  • OpenMM 7: Rapid development of high performance algorithms for molecular dynamics.

    Peter Eastman;Jason Swails;John D. Chodera;Robert T. McGibbon

  • MoleculeNet: a benchmark for molecular machine learning

    Zhenqin Wu;Bharath Ramsundar;Evan N. Feinberg;Joseph Gomes

  • MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

    Robert T. McGibbon;Kyle A. Beauchamp;Matthew P. Harrigan;Christoph Klein

  • Molecular graph convolutions: moving beyond fingerprints

    Steven M. Kearnes;Kevin McCloskey;Marc Berndl;Vijay S. Pande

  • Current Status of the AMOEBA Polarizable Force Field

    Jay W. Ponder;Chuanjie Wu;Pengyu Ren;Vijay S. Pande

  • Markov State Models: From an Art to a Science

    Brooke E. Husic;Vijay S. Pande

  • Low Data Drug Discovery with One-Shot Learning

    Han Altae-Tran;Bharath Ramsundar;Aneesh S. Pappu;Vijay S. Pande

  • Random-coil behavior and the dimensions of chemically unfolded proteins

    Jonathan E. Kohn;Ian S. Millett;Jaby Jacob;Jaby Jacob;Bojan Zagrovic

  • Absolute comparison of simulated and experimental protein-folding dynamics

    Christopher D. Snow;Houbi Nguyen;Vijay S. Pande;Martin Gruebele

  • Exploring the Helix-Coil Transition via All-Atom Equilibrium Ensemble Simulations

    Eric J. Sorin;Vijay S. Pande

  • Screen Savers of the World Unite

    Michael Shirts;Vijay S. Pande

  • Everything you wanted to know about Markov State Models but were afraid to ask.

    Vijay S. Pande;Kyle Beauchamp;Gregory R. Bowman

  • OpenMM 4: A reusable, extensible, hardware independent library for high performance molecular simulation

    Peter Eastman;Mark S. Friedrichs;John D. Chodera;Randall J. Radmer

  • Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins

    Michael R. Shirts;Jed W. Pitera;William C. Swope;Vijay S. Pande

  • Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics.

    John D. Chodera;Nina Singhal;Vijay S. Pande;Ken A. Dill

  • Accelerating Molecular Dynamic Simulation on Graphics Processing Units

    Mark S. Friedrichs;Peter Eastman;Vishal Vaidyanathan;Mike Houston

  • Improvements in Markov State Model Construction Reveal Many Non-Native Interactions in the Folding of NTL9

    Christian R. Schwantes;Vijay S. Pande

  • Graph convolutional policy network for goal-directed molecular graph generation

    Jiaxuan You;Bowen Liu;Rex Ying;Vijay Pande

  • Alchemical free energy methods for drug discovery: progress and challenges

    John D Chodera;David L Mobley;Michael R Shirts;Richard W Dixon

  • Molecular Simulation of ab Initio Protein Folding for a Millisecond Folder NTL9(1-39)

    Vincent A. Voelz;Gregory R. Bowman;Kyle Beauchamp;Vijay S. Pande

  • An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation

    Gregory R. Bowman;Vijay S. Pande;Frank Noé

  • On the transition coordinate for protein folding

    Rose Du;Vijay S. Pande;Vijay S. Pande;Alexander Yu. Grosberg;Toyoichi Tanaka

Frequent Co-Authors

Gregory R. Bowman
Gregory R. Bowman Washington University in St. Louis
Alexander Y. Grosberg
Alexander Y. Grosberg New York University
John D. Chodera
John D. Chodera Memorial Sloan Kettering Cancer Center
Xuhui Huang
Xuhui Huang University of Wisconsin–Madison
Teresa Head-Gordon
Teresa Head-Gordon University of California, Berkeley
Russ B. Altman
Russ B. Altman Stanford University
Sebastian Doniach
Sebastian Doniach Stanford University
Axel T. Brunger
Axel T. Brunger Stanford University
Todd J. Martínez
Todd J. Martínez Stanford University

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