Tag nonpolar [55 articles] Export

Recent papers classified by the tag nonpolar.

	Enhanced surface hydrophobicity by coupling of surface polarity and topography [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 36. (8 September 2009), pp. 15181-15185. by Nicolas Giovambattista, Pablo G. Debenedetti, Peter J. Rossky posted to solvation nonpolar electrostatics by sobolevnrm on 2009-10-31 00:58:41 as
	Characterizing hydrophobicity of interfaces by using cavity formation, solute binding, and water correlations [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 36. (8 September 2009), pp. 15119-15124. by Rahul Godawat, Sumanth N. Jamadagni, Shekhar Garde posted to solvation nonpolar by sobolevnrm on 2009-10-31 00:58:33 as along with 1 person softsimu
	Hydrophobic Interactions of Hexane in Nanosized Water Droplets [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 36. (10 September 2009), pp. 12337-12342. by Dirar Homouz, Byron Hoffman, Margaret S. Cheung posted to solvation nonpolar by sobolevnrm on 2009-10-27 11:40:02 as
	The AGBNP2 Implicit Solvation Model [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 9. (8 September 2009), pp. 2544-2564. by Emilio Gallicchio, Kristina Paris, Ronald M. Levy posted to solvation nonpolar electrostatics by sobolevnrm on 2009-10-01 13:14:35 as
	Entropy crossover from molecular to macroscopic cavity hydration [My Copy] Chemical Physics Letters, Vol. 477, No. 1-3. (28 July 2009), pp. 109-111. by Henry S. Ashbaugh posted to solvation nonpolar by sobolevnrm on 2009-10-01 13:14:10 as
	Dimerization Thermodynamics of Large Hydrophobic Plates: A Scaled Particle Theory Study [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 32. (13 August 2009), pp. 11232-11239. by Giuseppe Graziano posted to solvation nonpolar by sobolevnrm on 2009-09-01 12:44:03 as
	The multiscale coarse-graining method. III. A test of pairwise additivity of the coarse-grained potential and of new basis functions for the variational calculation [My Copy] The Journal of Chemical Physics, Vol. 131, No. 3. (2009), 034102. by Avisek Das, Hans C. Andersen posted to statistical_mechanics solvation nonpolar multiscale by sobolevnrm on 2009-08-19 12:55:48 as along with 3 people tomweingarten dlimmer agrossfield
	Localized thermodynamic coupling between hydrogen bonding and microenvironment polarity substantially stabilizes proteins [My Copy] Nat Struct Mol Biol, Vol. 16, No. 7. (14 July 2009), pp. 684-690. by Jianmin Gao, Daryl A. Bosco, Evan T. Powers, Jeffery W. Kelly posted to structure solvation protein_folding nonpolar electrostatics by sobolevnrm on 2009-08-18 12:37:06 as along with 1 person and 2 groups barry structural_bioinformatics McCammon
	Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures [My Copy] Journal of the American Chemical Society, Vol. 0, No. 0. (0000) by Upadhyayula S. Raghavender, Subrayashastry Aravinda, Narayanaswamy Shamala, Kantharaju, Rajkishor Rai, Padmanabhan Balaram posted to nonpolar solvation thrombin by sobolevnrm on 2009-08-03 21:17:05 as
	Van der Waals interactions involving proteins [My Copy] Vol. 70, No. 2. (1 February 1996), pp. 977-987. by C. M. Roth, B. L. Neal, A. M. Lenhoff posted to beyond_mean_field electrostatics nonpolar solvation by sobolevnrm on 2009-07-17 12:53:28 as along with 1 person flbarroso
	Molecular origin of the negative heat capacity of hydrophilic hydration [My Copy] The Journal of Chemical Physics, Vol. 130, No. 14. (2009), 144705. by Masahiro Kinoshita, Takashi Yoshidome posted to integral_equation nonpolar solvation by sobolevnrm to the group baker-group on 2009-05-08 12:28:15 as along with 1 person dlimmer
	Unusual Hydrophobic Interactions in Acidic Aqueous Solutions [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 20. (21 May 2009), pp. 7291-7297. by Hanning Chen, Jianqing Xu, Gregory A. Voth posted to nonpolar pka solvation by sobolevnrm to the group baker-group on 2009-05-01 12:13:47 as along with 1 person willard
	Solvation of a Spherical Cavity in Simple Liquids: Interpolating between the Limits [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 19. (14 May 2009), pp. 6813-6818. by Jianzhong Wu posted to nonpolar solvation by sobolevnrm to the group baker-group on 2009-04-21 12:30:42 as along with 1 person willard
	Solubility and Molecular Conformations of n-Alkane Chains in Water [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 18. (7 May 2009), pp. 6405-6414. by Andrew L. Ferguson, Pablo G. Debenedetti, Athanassios Z. Panagiotopoulos posted to nonpolar solvation by sobolevnrm to the group baker-group on 2009-04-17 13:03:24 as along with 2 people willard flbarroso
	Dewetting and Hydrophobic Interaction in Physical and Biological Systems [My Copy] Annual Review of Physical Chemistry, Vol. 60, No. 1. (2009), pp. 85-103. by Bruce J. Berne, John D. Weeks, Ruhong Zhou posted to nonpolar review solvation statistical_mechanics by sobolevnrm to the group baker-group on 2009-04-01 12:55:19 as along with 2 people qshao devinli
	The hydrophobic effect as a driving force for charge inversion in colloids [My Copy] Soft Matter (2009) by Alberto Martin-Molina, Carles Calero, Jordi Faraudo, Manuel Quesada-Perez, Alex Travesset, Roque Hidalgo-Alvarez posted to beyond_mean_field electrostatics nonpolar solvation by sobolevnrm to the group baker-group on 2009-03-23 11:55:54 as along with 1 person flbarroso
	Static and dynamic correlations in water at hydrophobic interfaces [My Copy] Proceedings of the National Academy of Sciences, Vol. 105, No. 51. (23 December 2008), pp. 20130-20135. by Jeetain Mittal, Gerhard Hummer posted to diffusion integral_equation nonpolar solvation by sobolevnrm to the group baker-group on 2009-03-04 13:06:44 as along with 1 person sunrise
	Modeling Tetraalkylammonium Halide Salts in Water: How Hydrophobic and Electrostatic Interactions Shape the Thermodynamic Properties [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 13. (2 April 2009), pp. 4360-4371. by Hartmut Krienke, Vojko Vlachy, Gudrun Ahn-Ercan, Imre Bakó posted to electrostatics integral_equation nonpolar solvation by sobolevnrm to the group baker-group on 2009-03-03 15:58:37 as along with 1 person flbarroso
	From Franklin to Today: Toward a Molecular Level Understanding of Bonding and Adsorption at the Oil−Water Interface† [My Copy] The Journal of Physical Chemistry C, Vol. 113, No. 4. (29 January 2009), pp. 1171-1188. by Cathryn L. Mcfearin, Daniel K. Beaman, Fred G. Moore, Geraldine L. Richmond posted to nonpolar review solvation by sobolevnrm to the group baker-group on 2009-03-03 15:35:11 as along with 2 people flbarroso willard
	Dynamical transition, hydrophobic interface, and the temperature dependence of electrostatic fluctuations in proteins [My Copy] Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 78, No. 6. (2008) by David N. Lebard, Dmitry V. Matyushov posted to beyond_mean_field electrostatics kinetics molecular_dynamics nonpolar by sobolevnrm to the group baker-group on 2009-02-28 21:49:13 as
	Digging a hole: Scaled-particle theory and cavity solvation in organic solvents [My Copy] The Journal of Chemical Physics, Vol. 129, No. 17. (2008) by Amit Jain, Henry S. Ashbaugh posted to nonpolar solvation statistical_mechanics by sobolevnrm to the group baker-group on 2009-02-10 12:58:36 as
	Electrostatic fluctuations in cavities within polar liquids and thermodynamics of polar solvation [My Copy] Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 78, No. 4. (2008) by Daniel R. Martin, Dmitry V. Matyushov posted to electrostatics nonpolar solvation statistical_mechanics by sobolevnrm to the group baker-group on 2009-02-05 12:44:48 as
	Volume-based solvation models out-perform area-based models in combined studies of wild-type and mutated protein-protein interfaces. [My Copy] BMC Bioinformatics, Vol. 9 (21 October 2008), 448. by Salim Bougouffa, Jim Warwicker posted to nonpolar protein-protein_interactions solvation by sobolevnrm to the group baker-group on 2009-01-30 13:05:12 as
	Hydrophobe-Water Interactions: Methane as a Model☆ [My Copy] Biophysical Journal, Vol. 95, No. 9. (01 November 2008), pp. 4241-4245. by F. Despa, R. Berry posted to nonpolar solvation by sobolevnrm to the group baker-group on 2009-01-27 12:32:38 as
	Direct numerical solution of the Ornstein--Zernike integral equation and spatial distribution of water around hydrophobic molecules [My Copy] The Journal of Chemical Physics, Vol. 103, No. 12. (1995), pp. 5011-5017. by Mitsunori Ikeguchi, Junta Doi posted to nonpolar solvation statistical_mechanics by sobolevnrm on 2009-01-16 12:44:22 as along with 1 group baker-group
	Polar Group Burial Contributes More to Protein Stability than Nonpolar Group Burial† [My Copy] Biochemistry, Vol. 40, No. 2. (1 January 2001), pp. 310-313. by Nick C. Pace posted to burial folding hydrophobic nonpolar polar protein protein_folding protein_stability by yarikson on 2008-12-21 22:41:10 as
	Specific Ion Binding to Nonpolar Surface Patches of Proteins [My Copy] J. Am. Chem. Soc. (8 August 2008) by Mikael Lund, Luboš Vrbka, Pavel Jungwirth posted to binding ion lund08pdf nonpolar surface by paulschlesinger on 2008-08-16 00:09:19 as along with 2 people mikaellund agrossfield
	Ion Specific Protein Assembly and Hydrophobic Surface Forces [My Copy] 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 along with 1 person mikaellund
	On the Manifestation of Hydrophobicity at the Nanoscale [My Copy] 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 along with 1 person paulschlesinger
	Scaling of Hydrophobic Solvation Free Energies [My Copy] J. Phys. Chem. B, Vol. 105, No. 28. (19 July 2001), pp. 6704-6709. by D. M. Huang, P. L. Geissler, D. Chandler posted to nonpolar solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-06-30 12:07:43 as along with 1 person and 1 group arlam Chang group
	Self-Consistent-Field Calculation of Pauli Repulsion and Dispersion Contributions to the Solvation Free Energy in the Polarizable Continuum Model [My Copy] 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
	Hydrophobic interactions between methane and a nanoscopic pocket: Three dimensional distribution of potential of mean force revealed by computer simulations [My Copy] 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
	Hydration of a hydrophobic cavity and its functional role: A simulation study of human interleukin-1? [My Copy] 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 along with 2 people timg choonpeng
	Fortran codes for the correlation functions of hard sphere fluids [My Copy] Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, Vol. 106, No. 1. (2008), pp. 3-7. by W. R. Smith, D. J. Henderson, P. J. Leonard<footnoteref linkend="FN0001">&bottom;</footnoteref>, J. A. Barker<footnoteref linkend="FN0001">&bottom;</footnoteref>, E. W. Grundke posted to nonpolar solvation statistical_mechanics teaching by sobolevnrm to the group baker-group on 2008-04-17 11:49:58 as along with 1 person saidu
	Molecular Dynamics of a Protein Surface: Ion-Residues Interactions [My Copy] 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 along with 1 person softsimu
	Recent advances in implicit solvent-based methods for biomolecular simulations. [My Copy] Current opinion in structural biology, Vol. 18, No. 2. (04 April 2008), pp. 140-148. by Jianhan Chen, Charles L. Brooks, Jana Khandogin posted to electrostatics nonpolar pka solvation by sobolevnrm to the group baker-group on 2008-04-15 11:47:07 as along with 8 people and 1 group krapnik RamuAnandakrishnan mikaellund oteri nickolay flbarroso choonpeng onufriev Structural Biology Group TorVergata
	The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area [My Copy] 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 along with 6 people onufriev RamuAnandakrishnan middledomain sunhwan dmobley GermanErlenkamp
	Specific Ion Binding to Macromolecules: Effects of Hydrophobicity and Ion Pairing [My Copy] 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 along with 1 person mikaellund
	Predicting Small-Molecule Solvation Free Energies: An Informal Blind Test for Computational Chemistry [My Copy] 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 along with 2 people dmobley middledomain
	Hydrophobicity of protein surfaces: Separating geometry from chemistry [My Copy] 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 along with 3 people qshao krapnik mijam
	How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure [My Copy] J. Phys. Chem. B (15 February 2008) by D. R. Weiss, T. M. Raschke, M. Levitt posted to nonpolar solvation by sobolevnrm to the group baker-group on 2008-03-12 11:12:43 as along with 3 people and 1 group Marine dmobley middledomain Molecular dynamics in MSU
	Hydration free energy of a Model Lennard-Jones solute particle: Microscopic Monte Carlo simulation studies, and interpretation based on mesoscopic models [My Copy] 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
	The Role of Solvent Fluctuations in Hydrophobic Assembly [My Copy] J. Phys. Chem. B (30 January 2008) by A. P. Willard, D. Chandler posted to nonpolar solvation by sobolevnrm to the group baker-group on 2008-02-27 12:35:01 as along with 2 people softsimu mikaellund
	Molecular Hydrophobic Attraction and Ion-Specific Effects Studied by Molecular Dynamics [My Copy] Langmuir, Vol. 24, No. 4. (19 February 2008), pp. 1271-1283. by D. Horinek, A. Serr, D. J. Bonthuis, M. Bostrom, W. Kunz, R. R. Netz posted to electrostatics molecular_simulation nonpolar solvation by sobolevnrm to the group baker-group on 2008-02-25 12:43:53 as along with 2 people sunrise mikaellund
	Effects of solute--solvent attractive forces on hydrophobic correlations [My Copy] 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
	Treating Entropy and Conformational Changes in Implicit Solvent Simulations of Small Molecules [My Copy] J. Phys. Chem. B, Vol. 112, No. 3. (24 January 2008), pp. 938-946. by D. L. Mobley, K. A. Dill, J. D. Chodera posted to electrostatics nonpolar solvation by sobolevnrm to the group baker-group on 2008-02-09 23:27:44 as
	Continuum Solvent Modeling of Nonpolar Solvation: Improvement by Separating Surface Area Dependent Cavity and Dispersion Contributions [My Copy] 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 along with 1 person dmobley
	Implicit Nonpolar Solvent Models [My Copy] J. Phys. Chem. B (5 October 2007) by C. Tan, Y. H. Tan, R. Luo posted to implicit nonpolar surface_area volume by dmobley on 2008-01-07 19:49:50 as along with 1 person and 1 group sobolevnrm baker-group
	Surface tension of normal and branched alkanes [My Copy] 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
	Hydrophobicity regained [My Copy] Protein Sci, Vol. 6, No. 6. (1 June 1997), pp. 1302-1307. by P. A. Karplus posted to electrostatics experimental_methodology nonpolar solvation by sobolevnrm to the group baker-group on 2008-01-03 12:41:56 as along with 1 person paulschlesinger

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solvation	92
electrostatics	36
statistical_mechanics	14
molecular_simulation	10
integral_equation	6
molecular_dynamics	6
beyond_mean_field	5
experimental_methodology	4
pka	4
protein-protein_interactions	4
review	4
diffusion	2
free_energy	2
implicit	2
kinetics	2
protein_folding	2
quantum_mechanics	2
teaching	2
binding	1
burial	1
folding	1
hydration	1
hydrophobic	1
ion	1
lund08pdf	1
multiscale	1
polar	1
protein	1
protein_stability	1
structure	1
surface	1
surface_area	1
thrombin	1
volume	1

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