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sobolevnrms integral_equation [18 articles]

Neue Publikationen in sobolevnrms Bibliothek eingetragen unter dem Bezeichner: integral_equation. You can also see everyone's integral_equation.
  • Solution of the Percus-Yevick equation for hard disks
    The Journal of Chemical Physics, Vol. 128, No. 18. (2008)
    by Adda M Bedia, E Katzav, D Vella
    posted to integral_equation solvation statistical_mechanics by sobolevnrm on 2008-07-08 12:19:31 as read along with 1 group baker-group
  • Comparison of DNA hydration patterns obtained using two distinct computational methods, molecular dynamics simulation and three-dimensional reference interaction site model theory
    The Journal of Chemical Physics, Vol. 128, No. 18. (2008)
    by Yoshiteru Yonetani, Yutaka Maruyama, Fumio Hirata, Hidetoshi Kono
    posted to electrostatics integral_equation nucleic_acids solvation by sobolevnrm on 2008-06-27 12:08:04 as read along with 1 group baker-group
  • Combination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution
    Journal of Computational Chemistry, Vol. 29, No. 6. (2008), pp. 871-882.
    by Tatsuhiko Miyata, Fumio Hirata
    posted to integral_equation molecular_dynamics solvation statistical_mechanics by sobolevnrm on 2008-04-15 11:53:50 as read along with 1 group baker-group
  • An integral equation theory for inhomogeneous molecular fluids: The reference interaction site model approach
    The Journal of Chemical Physics, Vol. 128, No. 3. (2008)
    by R Ishizuka, SH Chong, F Hirata
    posted to electrostatics integral_equation solvation statistical_mechanics by sobolevnrm on 2008-02-19 12:27:19 as read along with 1 group baker-group
  • Three-Dimensional Distribution Function Theory for the Prediction of Protein-Ligand Binding Sites and Affinities: Application to the Binding of Noble Gases to Hen Egg-White Lysozyme in Aqueous Solution
    J. Phys. Chem. B (8 September 2007)
    by T Imai, R Hiraoka, T Seto, A Kovalenko, F Hirata
    posted to integral_equation protein-ligand_interactions solvation statistical_mechanics by sobolevnrm on 2007-09-10 12:41:47 as read along with 1 group baker-group
  • Selective Ion-Binding by Protein Probed with the 3D-RISM Theory
    Journal of the American Chemical Society, Vol. 128, No. 37. (2006), pp. 12042-3.
    by N Yoshida, S Phongphanphanee, Y Maruyama, T Imai, F Hirata
    posted to electrostatics integral_equation solvation by sobolevnrm on 2007-05-25 14:37:06 as read along with 1 group baker-group
  • Optimized theory for simple and molecular fluids
    Journal of Chemical Physics, Vol. 126 (2007)
    by M Marucho, BM Pettitt
    posted to integral_equation solvation statistical_mechanics by sobolevnrm on 2007-05-25 14:36:49 as read along with 1 group baker-group
  • Locating missing water molecules in protein cavities by the three-dimensional reference interaction site model theory of molecular solvation
    Proteins (in press)
    by T Imai, R Hiraoka, A Kovalenko, F Hirata
    posted to integral_equation solvation by sobolevnrm on 2007-05-25 14:36:05 as read along with 1 group baker-group
  • A theoretical analysis on hydration thermodynamics of proteins
    Journal of Chemical Physics, Vol. 125 (2006)
    by T Imai, Y Harano, M Kinoshita, A Kovalenko, F Hirata
    posted to integral_equation solvation statistical_mechanics by sobolevnrm on 2007-05-25 14:23:17 as read along with 1 group baker-group
  • Effective density terms in proper integral equations
    Journal of Chemical Physics, Vol. 123 (2005)
    by KM Dyer, JS Perkyns, BM Pettitt
    posted to integral_equation solvation statistical_mechanics by sobolevnrm on 2007-05-25 14:19:04 as read along with 1 group baker-group
  • The coupling of long and short range correlations in ISM liquids
    Molecular Physics, Vol. 50, No. 6. (1983), pp. 1263-71.
    by PJ Rossky, BM Pettitt, G Stell
    posted to integral_equation solvation statistical_mechanics by sobolevnrm on 2007-05-25 14:19:04 as read along with 1 group baker-group
  • Water Molecules in a Protein Cavity Detected by a Statistical-Mechanical Theory
    Journal of the American Chemical Society, Vol. 127, No. 44. (2005), pp. 15334-5.
    by T Imai, R Hiraoka, A Kovalenko, F Hirata
    posted to integral_equation solvation statistical_mechanics by sobolevnrm on 2007-05-25 14:19:03 as read along with 1 group baker-group
  • Partial Molar Volume of Proteins Studied by the Three-Dimensional Reference Interaction Site Model Theory
    Journal of Physical Chemistry B, Vol. 109, No. 14. (2005), pp. 6658-65.
    by T Imai, A Kovalenko, F Hirata
    posted to integral_equation solvation statistical_mechanics by sobolevnrm on 2007-05-25 14:16:05 as read along with 1 group baker-group
  • Solvation thermodynamics of protein studied by the 3D-RISM theory
    Chemical Physics Letters, Vol. 395, No. 1-3. (2004), pp. 1-6.
    by T Imai, A Kovalenko, F Hirata
    posted to integral_equation solvation statistical_mechanics by sobolevnrm on 2007-05-25 14:12:48 as read along with 1 group baker-group
  • Hydration free energy of hydrophobic solutes studied by a reference interaction site model with a repulsive bridge correction and a thermodynamic perturbation method
    Journal of Chemical Physics, Vol. 113, No. 7. (2000), pp. 2793-805.
    by A Kovalenko, F Hirata
    posted to integral_equation solvation statistical_mechanics by sobolevnrm on 2007-05-25 14:12:08 as read along with 1 group baker-group
  • Potentials of mean force of simple ions in ambient aqueous solution. II. Solvation structure from the three-dimensional reference interaction site model approach, and comparison with simulations
    Journal of Chemical Physics, Vol. 112, No. 23. (2000), pp. 10403-17.
    by A Kovalenko, F Hirata
    posted to integral_equation solvation statistical_mechanics by sobolevnrm on 2007-05-25 14:12:08 as read along with 1 group baker-group
  • Potentials of mean force of simple ions in ambient aqueous solution. I. Three-dimensional reference interaction site model approach
    Journal of Chemical Physics, Vol. 112, No. 23. (2000), pp. 10391-402.
    by A Kovalenko, F Hirata
    posted to electrostatics integral_equation solvation statistical_mechanics by sobolevnrm on 2007-05-25 14:12:08 as read along with 1 group baker-group
  • A fast solver for the OrnsteinâZernike equations
    Journal of Computational Physics, Vol. 197, No. 2. (2004), pp. 491-501.
    by CT Kelley, BM Pettitt
    posted to integral_equation software solvation by sobolevnrm on 2007-05-25 14:10:27 as read along with 1 group baker-group
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