RESEARCHER PROFILE

Paul E. Smith

← Back to Kansas State University

P

Kansas State University

Advanced Physical and Chemical Molecular InteractionsProtein Structure and DynamicsMarine and fisheries researchPhase Equilibria and ThermodynamicsThermodynamic properties of mixtures

Paul E. Smith works in Advanced Physical and Chemical Molecular Interactions, Protein Structure and Dynamics, Marine and fisheries research, Phase Equilibria and Thermodynamics, Thermodynamic properties of mixtures. Recorded institutional associations include Teagasc - The Irish Agriculture and Food Development Authority, Kansas State University.

299Publications
13,981Citations
61H-index

ORCID

Inclusion identifies researchers whose recorded research contributions may inform their university’s understanding of its research community. It does not rank individual research quality or establish current employment.

Selected research works

Up to 100 highly cited works; DOI links open the original research. Counts reflect the collected record, not real-time citation totals.

  1. A generalized reaction field method for molecular dynamics simulations

    1995 · 1,442 citations

  2. Residence Times of Water Molecules in the Hydration Sites of Myoglobin

    2000 · 259 citations

  3. A Kirkwood−Buff Derived Force Field for Mixtures of Urea and Water

    2003 · 250 citations

  4. Simulated surface tensions of common water models

    2007 · 232 citations

  5. Recent Applications of Kirkwood–Buff Theory to Biological Systems

    2007 · 230 citations

  6. A Kirkwood–Buff derived force field for sodium chloride in water

    2003 · 228 citations

  7. Consistent dielectric properties of the simple point charge and extended simple point charge water models at 277 and 300 K

    1994 · 193 citations

  8. The viscosity of SPC and SPC/E water at 277 and 300 K

    1993 · 179 citations

  9. Dielectric properties of trypsin inhibitor and lysozyme calculated from molecular dynamics simulations

    1993 · 175 citations

  10. Convergence Properties of Free Energy Calculations: .alpha.-Cyclodextrin Complexes as a Case Study

    1994 · 162 citations

  11. A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides

    2011 · 154 citations

  12. A structurally conserved water molecule in Rossmann dinucleotide‐binding domains

    2002 · 149 citations

  13. Modeling Solvent in Biomolecular Systems

    1994 · 145 citations

  14. Peptides in ionic solutions: A comparison of the Ewald and switching function techniques

    1991 · 142 citations

  15. Kirkwood–Buff derived force field for mixtures of acetone and water

    2003 · 134 citations

  16. The alanine dipeptide free energy surface in solution

    1999 · 130 citations

  17. Molecular Association in Solution: A Kirkwood−Buff Analysis of Sodium Chloride, Ammonium Sulfate, Guanidinium Chloride, Urea, and 2,2,2-Trifluoroethanol in Water

    2002 · 128 citations

  18. Chemical Potential Derivatives and Preferential Interaction Parameters in Biological Systems from Kirkwood-Buff Theory

    2006 · 123 citations

  19. Cosolvent Interactions with Biomolecules: Relating Computer Simulation Data to Experimental Thermodynamic Data

    2004 · 119 citations

  20. A Kirkwood−Buff Derived Force Field for Methanol and Aqueous Methanol Solutions

    2005 · 114 citations

  21. Properties of 2,2,2-trifluoroethanol and water mixtures

    2001 · 113 citations

  22. A comparison of the properties of 2,2,2-trifluoroethanol and 2,2,2-trifluoroethanol/water mixtures using different force fields

    2001 · 97 citations

  23. Preferential Interactions of Cosolvents with Hydrophobic Solutes

    2001 · 97 citations

  24. Computer Simulation of Cosolvent Effects on Hydrophobic Hydration

    1998 · 94 citations

  25. When Are Free Energy Components Meaningful?

    1994 · 89 citations

← Return to the university profile