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Chemistry

D-Index
42
Citations
58876
World Ranking
17371
National Ranking
4252

Overview

Jeffry D. Madura was affiliated with Duquesne University in the United States. Their research spanned multiple scientific disciplines, primarily in Chemistry, Materials Science, and Engineering.

Their work focused on specialized topics within these fields, including:

  • Advanced NMR Techniques and Applications
  • Solid-state spectroscopy and crystallography
  • Muon and positron interactions and applications

One of the documented recent publications authored by Jeffry D. Madura is titled Chemical Shift Tensors of Cimetidine Form A Modeled with Density Functional Theory Calculations: Implications for NMR Crystallography, published in 2020 in The Journal of Physical Chemistry A. This publication has been cited 36 times and reflects an intersection of computational chemistry methods and experimental spectroscopy.

The scientist frequently published in The Journal of Physical Chemistry A, indicating an engagement with physical chemistry research communities.

Throughout their career, Jeffry D. Madura collaborated with several co-authors, including:

  • Sean T. Holmes
  • Olivia G. Engl
  • Matthew N. Srnec
  • Rosalynn Quiñones
  • James K. Harper

These co-authors suggest a network of collaborations often associated with research involving spectroscopic techniques and materials analysis.

Best Publications

  • Comparison of simple potential functions for simulating liquid water

    William L. Jorgensen;Jayaraman Chandrasekhar;Jeffry D. Madura;Roger W. Impey

  • Optimized intermolecular potential functions for liquid hydrocarbons

    William L. Jorgensen;Jeffry D. Madura;Carol J. Swenson

  • Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew

    Hans W. Horn;William C. Swope;Jed W. Pitera;Jeffry D. Madura

  • Temperature and size dependence for Monte Carlo simulations of TIP4P water

    William L. Jorgensen;Jeffry D. Madura

  • Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program

    Jeffry D. Madura;James M. Briggs;Rebecca C. Wade;Malcolm E. Davis

  • Quantum and statistical mechanical studies of liquids. 25. Solvation and conformation of methanol in water

    William L. Jorgensen;Jeffry D. Madura

  • Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution

    Jeffry D. Madura;William L. Jorgensen

  • Biological Applications of Electrostatic Calculations and Brownian Dynamics Simulations

    Jeffry D. Madura;Malcolm E. Davist;Michael K. Gilson;Rebecca C. Wades

  • Network topology in simulated water

    Robin J. Speedy;Jeffry D. Madura;William L. Jorgensen

  • Atomic force microscopy and molecular modeling of protein and peptide binding to calcite.

    A. Wierzbicki;C. S. Sikes;J. D. Madura;B. Drake

  • Methods for Applying the Quantitative Structure-Activity Relationship Paradigm

    Emilio Xavier Esposito;Anton J. Hopfinger;Jeffry D. Madura

  • ELECTRONIC ORIGINS AND CONSEQUENCES OF PYRAMIDALIZATION OF ASYMMETRIC ALKENES IN GROUND AND TRIPLET EXCITED STATES

    K. N. Houk;N. G. Rondan;F. K. Brown;W. L. Jorgensen

  • A Brownian Dynamics Study of the Initial Stages of Hen Egg-White Lysozyme Adsorption at a Solid Interface

    S. Ravichandran;J. D. Madura;J. Talbot

  • Molecular dynamics simulation with a continuum electrostatic model of the solvent

    Michael K. Gilson;J. Andrew McCammon;Jeffry D. Madura

  • Molecular recognition and binding of thermal hysteresis proteins to ice.

    Jeffry D. Madura;Kelli Baran;Andrzej Wierzbicki

  • Gating of the active site of triose phosphate isomerase: Brownian dynamics simulations of flexible peptide loops in the enzyme.

    R.C. Wade;M.E. Davis;B.A. Luty;J.D. Madura

  • Dopamine transporter comparative molecular modeling and binding site prediction using the LeuT(Aa) leucine transporter as a template.

    Martín Indarte;Jeffry D. Madura;Christopher K. Surratt

  • Family 18 chitinase-oligosaccharide substrate interaction: subsite preference and anomer selectivity of Serratia marcescens chitinase A.

    Nathan N Aronson;Brian A Halloran;Mikhail F Alexyev;Lauren Amable

  • Fischer route to pyrido[3,2-g]indoles. A novel receptor for urea derivatives

    Vidyadhar Hegde;Puttannachetty Madhukar;Jeffry D. Madura;Randolph P. Thummel

  • Antifreeze Proteins at the Ice/Water Interface: Three Calculated Discriminating Properties for Orientation of Type I Proteins

    Andrzej Wierzbicki;Pranav Dalal;Thomas E. Cheatham;Jared E. Knickelbein

Frequent Co-Authors

William L. Jorgensen
William L. Jorgensen Yale University
J. Andrew McCammon
J. Andrew McCammon University of California, San Diego
Sanford A. Asher
Sanford A. Asher University of Pittsburgh
Ivet Bahar
Ivet Bahar University of Pittsburgh
Rebecca C. Wade
Rebecca C. Wade Heidelberg Institute for Theoretical Studies
Jonathan L. Katz
Jonathan L. Katz National Institute on Drug Abuse
B. Montgomery Pettitt
B. Montgomery Pettitt The University of Texas Medical Branch at Galveston
Philip E. Auron
Philip E. Auron Duquesne University
Frank D. Sönnichsen
Frank D. Sönnichsen Kiel University
Jan Dolfing
Jan Dolfing Northumbria University

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