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D-Index & Metrics

Chemistry

D-Index
90
Citations
76453
World Ranking
2028
National Ranking
742

Overview

Jeremy C. Smith is affiliated with the University of Tennessee at Knoxville in the United States. Their research primarily spans the field of Biochemistry, Genetics and Molecular Biology, with a substantial focus on Molecular Biology as a subfield. Additional subfields of study include Biomedical Engineering, Materials Chemistry, Computational Theory and Mathematics, and Spectroscopy.

Their work covers several main topics including:

  • Protein Structure and Dynamics
  • Computational Drug Discovery Methods
  • Enzyme Structure and Function
  • Biofuel production and bioconversion
  • Ionic liquids properties and applications
  • Lipid Membrane Structure and Behavior
  • Advanced Cellulose Research Studies

Jeremy C. Smith has contributed to numerous scientific publications, frequently appearing in venues such as bioRxiv (Cold Spring Harbor Laboratory), Biophysical Journal, arXiv (Cornell University), Journal of Chemical Information and Modeling, and Green Chemistry.

Some of their recent papers include:

  • "Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19" (2020), published in Journal of Chemical Information and Modeling
  • "How to Discover Antiviral Drugs Quickly" (2020), published in New England Journal of Medicine
  • "Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations" (2021), published in Communications Biology
  • "Mathematical model of a proton-exchange membrane (PEM) fuel cell" (2021), published in International Journal of Thermofluids
  • "Molecular Dynamics Simulation of the Structures, Dynamics, and Aggregation of Dissolved Organic Matter" (2020), published in Environmental Science & Technology

Frequent co-authors collaborating with Jeremy C. Smith include:

  • Micholas Dean Smith
  • Loukas Petridis
  • Rupesh Agarwal
  • Jerry M. Parks
  • Mood Mohan

Best Publications

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

    Mark James Abraham;Teemu Murtola;Roland Schulz;Roland Schulz;Szilárd Páll

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

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

  • GROMACS 4.5

    Sander Pronk;Szilárd Páll;Szilárd Páll;Roland Schulz;Roland Schulz;Per Larsson

  • The Genetic Basis for Bacterial Mercury Methylation

    Jerry M. Parks;Alexander Johs;Mircea Podar;Mircea Podar;Romain Bridou

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

    Franci Merzel;Jeremy C. Smith

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

    Frank Noé;Illia Horenko;Christof Schütte;Jeremy C. Smith

  • Ensemble Docking in Drug Discovery.

    Rommie E. Amaro;Jerome Baudry;John Chodera;Özlem Demir

  • THE ROLE OF DYNAMICS IN ENZYME ACTIVITY

    Roy M. Daniel;Rachel V. Dunn;John L. Finney;Jeremy C. Smith

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

    J. C. Smith

  • 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

  • Dual function of the hydration layer around an antifreeze protein revealed by atomistic molecular dynamics simulations.

    David R. Nutt;Jeremy C. Smith

  • Translational hydration water dynamics drives the protein glass transition.

    Alexander L. Tournier;Jiancong Xu;Jeremy C. Smith

  • Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory

    Zoe Cournia;Toby W. Allen;Toby W. Allen;Ioan Andricioaei;Bruno Antonny

  • Repurposing Therapeutics for COVID-19: Supercomputer-Based Docking to the SARS-CoV-2 Viral Spike Protein and Viral Spike Protein-Human ACE2 Interface

    Micholas Smith;Jeremy C. Smith

  • Mechanism of lignin inhibition of enzymatic biomass deconstruction

    Josh V. Vermaas;Loukas Petridis;Xianghong Qi;Roland Schulz;Roland Schulz

  • A model for the photosystem II reaction center core including the structure of the primary donor P680.

    Bengt Svensson;Catherine Etchebest;Pierre Tuffery;Paul van Kan

  • Common processes drive the thermochemical pretreatment of lignocellulosic biomass

    Paul Langan;Paul Langan;Loukas Petridis;Loukas Petridis;Hugh M. O'Neill;Sai Venkatesh Pingali

  • Mutant alcohol dehydrogenase leads to improved ethanol tolerance in Clostridium thermocellum

    Steven D Brown;Adam M Guss;Tatiana Karpinets;Jerry M Parks

  • Principal components of the protein dynamical transition.

    Alexander L. Tournier;Jeremy C. Smith

  • Structural mechanism of the recovery stroke in the myosin molecular motor.

    Stefan Fischer;Björn Windshügel;Daniel Horak;Kenneth C. Holmes

Frequent Co-Authors

Hugh O'Neill
Hugh O'Neill Oak Ridge National Laboratory
Roy M. Daniel
Roy M. Daniel University of Waikato
Benoît Roux
Benoît Roux University of Chicago
Paul Langan
Paul Langan Oak Ridge National Laboratory
Martin Karplus
Martin Karplus Harvard University
Arthur J. Ragauskas
Arthur J. Ragauskas University of Tennessee at Knoxville
Stephen Cusack
Stephen Cusack European Bioinformatics Institute
Brian H. Davison
Brian H. Davison Oak Ridge National Laboratory
Marcus Elstner
Marcus Elstner Karlsruhe Institute of Technology
Alexei P. Sokolov
Alexei P. Sokolov University of Tennessee at Knoxville

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