D-Index & Metrics Best Publications

D-Index & Metrics

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 78 Citations 49,281 495 World Ranking 1631 National Ranking 643

Overview

What is he best known for?

The fields of study he is best known for:

  • Enzyme
  • Quantum mechanics
  • Gene

His main research concerns Molecular dynamics, Crystallography, Neutron scattering, Chemical physics and Biophysics. His study in Molecular dynamics is interdisciplinary in nature, drawing from both Myoglobin, Statistical physics, Nucleosome, Normal mode and Massively parallel. Jeremy C. Smith interconnects Nucleic acid, Biomolecule, Cost efficiency, Range and Workstation in the investigation of issues within Massively parallel.

His Workstation research includes themes of Solvent models, Computational science, Parallel computing, Conformational isomerism and Software. His Crystallography research is multidisciplinary, incorporating perspectives in Protein structure, Hydrogen bond, Picosecond and Protein folding. He has included themes like Molecular physics and Neutron diffraction in his Neutron scattering study.

His most cited work include:

  • All-atom empirical potential for molecular modeling and dynamics studies of proteins. (10375 citations)
  • GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers (5344 citations)
  • GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers (5344 citations)

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

His primary scientific interests are in Molecular dynamics, Crystallography, Neutron scattering, Chemical physics and Biophysics. His Molecular dynamics study focuses on Protein dynamics in particular. His studies deal with areas such as Dihedral angle, Hydrogen bond, Side chain and Protein folding as well as Crystallography.

The various areas that Jeremy C. Smith examines in his Chemical physics study include Globular protein and Atomic physics. His Biophysics research incorporates themes from Membrane, DNA and Nucleosome. His work investigates the relationship between Molecule and topics such as Computational chemistry that intersect with problems in Solvation.

He most often published in these fields:

  • Molecular dynamics (51.24%)
  • Crystallography (22.71%)
  • Neutron scattering (22.71%)

What were the highlights of his more recent work (between 2018-2021)?

  • Molecular dynamics (51.24%)
  • Biophysics (16.01%)
  • Docking (6.55%)

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

His scientific interests lie mostly in Molecular dynamics, Biophysics, Docking, Membrane and Supercomputer. His Molecular dynamics research is multidisciplinary, relying on both Calcium, Small-angle scattering, Neutron scattering, Catalysis and Intrinsically disordered proteins. His study looks at the relationship between Small-angle scattering and fields such as Energy landscape, as well as how they intersect with chemical problems.

The study incorporates disciplines such as Membrane fusion protein, Signal transduction, Function and Dynamics in addition to Biophysics. His research integrates issues of Computational biology, Binding site and Drug discovery in his study of Docking. Throughout his Severe acute respiratory syndrome coronavirus 2 studies, Jeremy C. Smith incorporates elements of other sciences such as Computational science, Autodock vina and 2019-20 coronavirus outbreak.

Between 2018 and 2021, his most popular works were:

  • Repurposing Therapeutics for COVID-19: Supercomputer-Based Docking to the SARS-CoV-2 Viral Spike Protein and Viral Spike Protein-Human ACE2 Interface (94 citations)
  • Biological Membrane Organization and Cellular Signaling (35 citations)
  • Biological Membrane Organization and Cellular Signaling (35 citations)

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

  • Enzyme
  • Quantum mechanics
  • Gene

Jeremy C. Smith mostly deals with Molecular dynamics, Docking, Supercomputer, Drug discovery and Biophysics. The concepts of his Molecular dynamics study are interwoven with issues in Small-angle scattering, Dynamics, Energy landscape, Intrinsically disordered proteins and Efflux pump complex. His Energy landscape research incorporates elements of Globular protein, Force field, Neutron scattering and Maxima and minima.

His research on Docking also deals with topics like

  • Binding site that connect with fields like Cysteine protease, Protonation, Protease, Stereochemistry and Hydrogen bond,
  • Computational biology which intersects with area such as Protein structure, Chemical biology, Ligand and Virus. His research in Supercomputer intersects with topics in CUDA, Protein–ligand docking and Porting. His biological study deals with issues like Membrane, which deal with fields such as Carotenoid and Cell signaling.

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

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

A. D. MacKerell;D. Bashford;M. Bellott;R. L. Dunbrack.
Journal of Physical Chemistry B (1998)

12897 Citations

GROMACS 4.5

Sander Pronk;Szilárd Páll;Szilárd Páll;Roland Schulz;Roland Schulz;Per Larsson.
Bioinformatics (2013)

7407 Citations

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

Mark James Abraham;Teemu Murtola;Roland Schulz;Roland Schulz;Szilárd Páll.
SoftwareX (2015)

6929 Citations

The Genetic Basis for Bacterial Mercury Methylation

Jerry M. Parks;Alexander Johs;Mircea Podar;Mircea Podar;Romain Bridou.
Science (2013)

663 Citations

Hierarchical analysis of conformational dynamics in biomolecules: Transition networks of metastable states

Frank Noé;Illia Horenko;Christof Schütte;Jeremy C. Smith.
Journal of Chemical Physics (2007)

412 Citations

THE ROLE OF DYNAMICS IN ENZYME ACTIVITY

Roy M. Daniel;Rachel V. Dunn;John L. Finney;Jeremy C. Smith.
Annual Review of Biophysics and Biomolecular Structure (2003)

409 Citations

Is the first hydration shell of lysozyme of higher density than bulk water

Franci Merzel;Jeremy C. Smith.
Proceedings of the National Academy of Sciences of the United States of America (2002)

397 Citations

Protein dynamics: comparison of simulations with inelastic neutron scattering experiments.

J. C. Smith.
Quarterly Reviews of Biophysics (1991)

394 Citations

Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study

B. Roux;M. Nina;R. Pomès;J.C. Smith.
Biophysical Journal (1996)

271 Citations

Fluorescence Spectroscopic Profiling of Compound Libraries

Anton Simeonov;Ajit Jadhav;Craig J. Thomas;Yuhong Wang.
Journal of Medicinal Chemistry (2008)

244 Citations

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