D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 88 Citations 28,151 242 World Ranking 919 National Ranking 404

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Statistics
  • Enzyme

His primary areas of investigation include Molecular dynamics, Protein folding, Statistical physics, Markov chain and Computational chemistry. His work in the fields of Force field overlaps with other areas such as Villin. The various areas that Vijay S. Pande examines in his Protein folding study include Chemical physics, Folding, Crystallography, Folding and Protein structure.

His Statistical physics study combines topics in areas such as Markov process, Cluster analysis, Molecular biophysics, Energy and Kinetic energy. He interconnects Range, Independent component analysis, Data mining and Data science in the investigation of issues within Markov chain. Vijay S. Pande has included themes like Sequence and Thermodynamics in his Computational chemistry study.

His most cited work include:

  • CHARMM-GUI Input Generator for NAMD, Gromacs, Amber, Openmm, and CHARMM/OpenMM Simulations using the CHARMM36 Additive Force Field (880 citations)
  • Current Status of the AMOEBA Polarizable Force Field (723 citations)
  • MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories (635 citations)

What are the main themes of his work throughout his whole career to date?

Vijay S. Pande focuses on Molecular dynamics, Statistical physics, Protein folding, Markov chain and Chemical physics. His Molecular dynamics study improves the overall literature in Computational chemistry. His study ties his expertise on Molecular biophysics together with the subject of Statistical physics.

His Protein folding research is multidisciplinary, relying on both Crystallography, Folding, Protein structure and Folding. His work deals with themes such as Native state and Kinetics, which intersect with Folding. His work on Markov model as part of general Markov chain research is frequently linked to State model, thereby connecting diverse disciplines of science.

He most often published in these fields:

  • Molecular dynamics (31.92%)
  • Statistical physics (25.25%)
  • Protein folding (23.03%)

What were the highlights of his more recent work (between 2016-2021)?

  • Artificial intelligence (9.70%)
  • Molecular dynamics (31.92%)
  • Machine learning (6.46%)

In recent papers he was focusing on the following fields of study:

His primary areas of study are Artificial intelligence, Molecular dynamics, Machine learning, Artificial neural network and Markov chain. He undertakes interdisciplinary study in the fields of Molecular dynamics and Population through his works. Vijay S. Pande combines subjects such as Graph, Cheminformatics, Benchmark, Sequence and Drug discovery with his study of Machine learning.

His work carried out in the field of Markov chain brings together such families of science as Independent component analysis, Sampling, Statistical physics, Algorithm and Variational principle. Vijay S. Pande merges many fields, such as Statistical physics and Change size, in his writings. Hydrophobic collapse, Beta hairpin and Protein folding is closely connected to Native state in his research, which is encompassed under the umbrella topic of Chemical physics.

Between 2016 and 2021, his most popular works were:

  • MoleculeNet: a benchmark for molecular machine learning (509 citations)
  • OpenMM 7: Rapid development of high performance algorithms for molecular dynamics. (387 citations)
  • Low Data Drug Discovery with One-Shot Learning (262 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Statistics
  • Enzyme

Vijay S. Pande spends much of his time researching Artificial intelligence, Machine learning, Software, Molecular dynamics and Algorithm. His Machine learning research is multidisciplinary, incorporating elements of Molecular machine, Data mining, Drug discovery and Benchmark. The Software study combines topics in areas such as Force field, Data science and Maxima and minima.

His research in Molecular dynamics intersects with topics in Extensibility, Statistical physics, Coding and Source code. His Statistical physics study incorporates themes from Operator, Reaction coordinate and Eigenfunction. His Algorithm research integrates issues from Encoding, Encoder, Brownian dynamics, Markov chain and Nonlinear system.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

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.
Journal of Chemical Theory and Computation (2016)

1087 Citations

Current Status of the AMOEBA Polarizable Force Field

Jay W. Ponder;Chuanjie Wu;Pengyu Ren;Vijay S. Pande.
Journal of Physical Chemistry B (2010)

1073 Citations

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

Robert T. McGibbon;Kyle A. Beauchamp;Matthew P. Harrigan;Christoph Klein.
Biophysical Journal (2015)

779 Citations

Absolute comparison of simulated and experimental protein-folding dynamics

Christopher D. Snow;Houbi Nguyen;Vijay S. Pande;Martin Gruebele.
Nature (2002)

779 Citations

Molecular graph convolutions: moving beyond fingerprints

Steven M. Kearnes;Kevin McCloskey;Marc Berndl;Vijay S. Pande.
Journal of Computer-aided Molecular Design (2016)

747 Citations

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

Eric J. Sorin;Vijay S. Pande.
Biophysical Journal (2005)

743 Citations

Screen Savers of the World Unite

Michael Shirts;Vijay S. Pande.
Science (2000)

708 Citations

Random-coil behavior and the dimensions of chemically unfolded proteins

Jonathan E. Kohn;Ian S. Millett;Jaby Jacob;Jaby Jacob;Bojan Zagrovic.
Proceedings of the National Academy of Sciences of the United States of America (2004)

690 Citations

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.
Journal of Chemical Physics (2003)

665 Citations

MoleculeNet: a benchmark for molecular machine learning

Zhenqin Wu;Bharath Ramsundar;Evan N. Feinberg;Joseph Gomes.
Chemical Science (2018)

637 Citations

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