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Group: baker-group - with tag nonpolar [30 articles]

Neue Artikel von Mitliedern der Gruppe baker-group Gruppe with tag nonpolar
  • Ion Specific Protein Assembly and Hydrophobic Surface Forces
    Physical Review Letters, Vol. 100, No. 25. (2008)
    by Mikael Lund, Pavel Jungwirth, Clifford E Woodward
    posted to nonpolar protein-protein_interactions solvation by sobolevnrm to the group baker-group on 2008-07-21 21:01:25 as read along with 1 person mikaellund
  • Assessing the performance of implicit solvation models at a nucleic acid surface
    Physical Chemistry Chemical Physics (in press)
    by F Dong, JA Wagoner, NA Baker
    posted to electrostatics nonpolar nucleic_acids solvation by sobolevnrm to the group baker-group on 2008-07-08 12:27:15 as read
  • On the Manifestation of Hydrophobicity at the Nanoscale
    J. Phys. Chem. B (29 April 2008)
    by Niharendu Choudhury
    posted to nonpolar solvation by sobolevnrm to the group baker-group on 2008-07-08 11:58:36 as read along with 1 person paulschlesinger
  • Scaling of Hydrophobic Solvation Free Energies
    J. Phys. Chem. B, Vol. 105, No. 28. (19 July 2001), pp. 6704-6709.
    by DM Huang, PL Geissler, D Chandler
    posted to nonpolar solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-06-30 12:07:43 as read
  • Self-Consistent-Field Calculation of Pauli Repulsion and Dispersion Contributions to the Solvation Free Energy in the Polarizable Continuum Model
    J. Phys. Chem. B, Vol. 101, No. 6. (6 February 1997), pp. 1051-1057.
    by C Amovilli, B Mennucci
    posted to nonpolar quantum_mechanics solvation by sobolevnrm to the group baker-group on 2008-06-29 21:17:39 as read
  • Hydrophobic interactions between methane and a nanoscopic pocket: Three dimensional distribution of potential of mean force revealed by computer simulations
    The Journal of Chemical Physics, Vol. 128, No. 12. (2008)
    by Piotr Setny
    posted to nonpolar solvation by sobolevnrm to the group baker-group on 2008-05-06 11:13:03 as read
  • Hydration of a hydrophobic cavity and its functional role: A simulation study of human interleukin-1?
    Proteins: Structure, Function, and Bioinformatics, Vol. 67, No. 4. (2007), pp. 868-885.
    by Sandeep Somani, Choon-Peng Chng, Chandra S Verma
    posted to electrostatics nonpolar solvation by sobolevnrm to the group baker-group on 2008-04-17 19:03:17 as read along with 1 person choonpeng
  • Fortran codes for the correlation functions of hard sphere fluids
    Molecular Physics, Vol. 106, No. 1. (2008), pp. 3-7.
    by WR Smith, DJ Henderson, PJ Leonard, JA Barker, EW Grundke
    posted to nonpolar solvation statistical_mechanics teaching by sobolevnrm to the group baker-group on 2008-04-17 11:49:58 as read
  • Molecular Dynamics of a Protein Surface: Ion-Residues Interactions
    Biophys. J., Vol. 89, No. 2. (1 August 2005), pp. 768-781.
    by Ran Friedman, Esther Nachliel, Menachem Gutman
    posted to electrostatics nonpolar solvation by sobolevnrm to the group baker-group on 2008-04-16 20:50:01 as read along with 1 person softsimu
  • Recent advances in implicit solvent-based methods for biomolecular simulations
    Current Opinion in Structural Biology, Vol. In Press, Corrected Proof
    by Jianhan Chen, Brooks, Jana Khandogin
    posted to electrostatics nonpolar pka solvation by sobolevnrm to the group baker-group on 2008-04-15 11:47:07 as read along with 2 people choonpeng onufriev
  • The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area
    Journal of Computational Chemistry, Vol. 9999, No. 9999. (2008), NA.
    by Paul Labute
    posted to electrostatics nonpolar solvation by sobolevnrm to the group baker-group on 2008-04-03 12:03:38 as read along with 6 people onufriev RamuAnandakrishnan middledomain sunhwan dmobley GermanErlenkamp
  • Specific Ion Binding to Macromolecules: Effects of Hydrophobicity and Ion Pairing
    Langmuir (23 February 2008)
    by M Lund, R Vacha, P Jungwirth
    posted to electrostatics nonpolar solvation by sobolevnrm to the group baker-group on 2008-03-28 10:48:29 as read along with 1 person mikaellund
  • Predicting Small-Molecule Solvation Free Energies: An Informal Blind Test for Computational Chemistry
    J. Med. Chem. (24 January 2008)
    by Anthony Nicholls, David L Mobley, Peter J Guthrie, John D Chodera, Vijay S Pande
    posted to electrostatics nonpolar solvation by sobolevnrm to the group baker-group on 2008-03-26 11:40:28 as read along with 2 people dmobley middledomain
  • Hydrophobicity of protein surfaces: Separating geometry from chemistry
    Proceedings of the National Academy of Sciences, Vol. 105, No. 7. (19 February 2008), pp. 2274-2279.
    by Nicolas Giovambattista, Carlos F Lopez, Peter J Rossky, Pablo G Debenedetti
    posted to electrostatics nonpolar solvation by sobolevnrm to the group baker-group on 2008-03-13 11:36:44 as read
  • How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure
    J. Phys. Chem. B (15 February 2008)
    by DR Weiss, TM Raschke, M Levitt
    posted to nonpolar solvation by sobolevnrm to the group baker-group on 2008-03-12 11:12:43 as read along with 2 people dmobley middledomain
  • Hydration free energy of a Model Lennard-Jones solute particle: Microscopic Monte Carlo simulation studies, and interpretation based on mesoscopic models
    The Journal of Chemical Physics, Vol. 128, No. 6. (2008)
    by Magdalena Gruziel, Witold R Rudnicki, Bogdan Lesyng
    posted to electrostatics nonpolar solvation by sobolevnrm to the group baker-group on 2008-03-05 12:24:16 as read
  • The Role of Solvent Fluctuations in Hydrophobic Assembly
    J. Phys. Chem. B (30 January 2008)
    by AP Willard, D Chandler
    posted to nonpolar solvation by sobolevnrm to the group baker-group on 2008-02-27 12:35:01 as read along with 1 person mikaellund
  • Molecular Hydrophobic Attraction and Ion-Specific Effects Studied by Molecular Dynamics
    Langmuir, Vol. 24, No. 4. (19 February 2008), pp. 1271-1283.
    by D Horinek, A Serr, DJ Bonthuis, M Bostrom, W Kunz, RR Netz
    posted to electrostatics molecular_simulation nonpolar solvation by sobolevnrm to the group baker-group on 2008-02-25 12:43:53 as read along with 1 person mikaellund
  • Effects of solute--solvent attractive forces on hydrophobic correlations
    The Journal of Chemical Physics, Vol. 73, No. 7. (1980), pp. 3434-3441.
    by Lawrence R Pratt, David Chandler
    posted to nonpolar solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-11 12:37:17 as read
  • Treating Entropy and Conformational Changes in Implicit Solvent Simulations of Small Molecules
    J. Phys. Chem. B, Vol. 112, No. 3. (24 January 2008), pp. 938-946.
    by DL Mobley, KA Dill, JD Chodera
    posted to electrostatics nonpolar solvation by sobolevnrm to the group baker-group on 2008-02-09 23:27:44 as read
  • Continuum Solvent Modeling of Nonpolar Solvation: Improvement by Separating Surface Area Dependent Cavity and Dispersion Contributions
    J. Phys. Chem. A, Vol. 107, No. 16. (24 April 2003), pp. 3000-3004.
    by M Zacharias
    posted to nonpolar solvation by sobolevnrm to the group baker-group on 2008-01-11 12:52:09 as read along with 1 person dmobley
  • Surface tension of normal and branched alkanes
    Molecular Physics, Vol. 105, No. 23. (2007), pp. 3155-3163.
    by Ahmed E Ismail, Mesfin Tsige, Pieter J In, Gary S Grest
    posted to molecular_simulation nonpolar solvation by sobolevnrm to the group baker-group on 2008-01-07 12:20:37 as read
  • Hydrophobicity regained
    Protein Sci, Vol. 6, No. 6. (1 June 1997), pp. 1302-1307.
    by PA Karplus
    posted to electrostatics experimental_methodology nonpolar solvation by sobolevnrm to the group baker-group on 2008-01-03 12:41:56 as read along with 1 person paulschlesinger
  • Cavitation Free Energy for Organic Molecules Having Various Sizes and Shapes
    J. Phys. Chem. B (20 November 2007)
    by FV Grigoriev, MV Basilevsky, SN Gabin, AN Romanov, VB Sulimov
    posted to nonpolar solvation by sobolevnrm to the group baker-group on 2007-12-21 12:25:29 as read along with 1 person dmobley
  • Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions
    Physical Chemistry Chemical Physics (in press)
    by J Chen, Brooks
    posted to nonpolar solvation by sobolevnrm to the group baker-group on 2007-12-10 12:26:53 as read
  • Accurate and Efficient Corrections for Missing Dispersion Interactions in Molecular Simulations
    J. Phys. Chem. B (19 October 2007)
    by MR Shirts, DL Mobley, JD Chodera, VS Pande
    posted to molecular_dynamics molecular_simulation nonpolar solvation by sobolevnrm to the group baker-group on 2007-11-06 12:41:10 as read
  • Application of Ewald summations to long-range dispersion forces
    The Journal of Chemical Physics, Vol. 127, No. 14. (2007)
    by Pieter, Ahmed E Ismail, Gary S Grest
    posted to molecular_dynamics molecular_simulation nonpolar by sobolevnrm to the group baker-group on 2007-10-30 11:36:06 as read
  • Observation of Immobilized Water Molecules around Hydrophobic Groups
    Physical Review Letters, Vol. 99, No. 14. (2007)
    by YLA Rezus, HJ Bakker
    posted to experimental_methodology nonpolar solvation by sobolevnrm to the group baker-group on 2007-10-24 13:31:37 as read along with 3 people dchen Cristiano Diego_Prada
  • Solvent reaction field potential inside an uncharged globular protein: A bridge between implicit and explicit solvent models?
    The Journal of Chemical Physics, Vol. 127, No. 15. (2007)
    by David S Cerutti, Nathan A Baker, Andrew J Mccammon
    posted to electrostatics molecular_simulation nonpolar solvation by sobolevnrm to the group baker-group on 2007-10-16 12:13:55 as read along with 1 person onufriev
  • Implicit Nonpolar Solvent Models
    J. Phys. Chem. B (5 October 2007)
    by C Tan, YH Tan, R Luo
    posted to nonpolar solvation by sobolevnrm to the group baker-group on 2007-10-15 12:33:11 as read along with 1 person dmobley
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