Group: baker-group - with tag solvation [more than 800 articles] Export

Recent papers posted by members of the baker-group group with tag solvation

	The nonlinear dielectric behavior of water: Comparisons of various approaches to the nonlinear dielectric increment [My Copy] The Journal of Chemical Physics, Vol. 130, No. 20. (2009), 204503. by Robert L. Fulton posted to electrostatics solvation by sobolevnrm to the group baker-group on 2009-06-08 12:39:01 as along with 1 person flbarroso
	Numerical studies of nonlocal electrostatic effects on the sub-nanoscale [My Copy] Journal of Physics: Condensed Matter, Vol. 21, No. 25. (2009), 255901. by Jorg Rottler, B. Krayenhoff posted to electrostatics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2009-06-08 12:38:51 as along with 2 people Scis0000002 flbarroso
	Progress in the Perturbation Approach in Fluid and Fluid-Related Theories [My Copy] Chemical Reviews, Vol. 0, No. 0. (0000) by Shiqi Zhou, J. R. Solana posted to review solvation statistical_mechanics by sobolevnrm to the group baker-group on 2009-05-29 12:18:04 as along with 1 person paulschlesinger
	A simple formula for dielectric polarisation energies: The Sheffield Solvation Model [My Copy] Chemical Physics Letters, Vol. 441, No. 1-3. (13 June 2007), pp. 163-166. by J. A. Grant, B. T. Pickup, M. J. Sykes, C. A. Kitchen, A. Nicholls posted to electrostatics solvation by sobolevnrm to the group baker-group on 2009-05-28 12:31:27 as along with 1 person flbarroso
	Thermodynamics of flip-flop and desorption for a systematic series of phosphatidylcholine lipids [My Copy] Soft Matter (2009) by Nicolas Sapay, Drew W. F. Bennett, Peter D. Tieleman posted to biomembranes solvation by sobolevnrm to the group baker-group on 2009-05-26 12:45:04 as along with 1 person arnaucordomi
	Restoring Charge Asymmetry in Continuum Electrostatics Calculations of Hydration Free Energies [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 24. (18 June 2009), pp. 8206-8209. by Enrico O. Purisima, Traian Sulea posted to electrostatics solvation by sobolevnrm to the group baker-group on 2009-05-26 12:44:52 as along with 3 people Elena_Zubova onufriev agrossfield
	Ionic Binding of Na+ versus K+ to the Carboxylic Acid Headgroup of Palmitic Acid Monolayers Studied by Vibrational Sum Frequency Generation Spectroscopy† [My Copy] The Journal of Physical Chemistry A, Vol. 0, No. 0. (0000) by Cheng Y. Tang, Heather C. Allen posted to biomembranes electrostatics solvation by sobolevnrm to the group baker-group on 2009-05-21 12:08:50 as
	The origin of the electrostatic perturbation in acetoacetate decarboxylase [My Copy] Nature, Vol. 459, No. 7245. (21 May 2009), pp. 393-397. by Meng-Chiao Ho, Jean-Francois Menetret, Hiro Tsuruta, Karen N. Allen posted to electrostatics pka solvation structure by sobolevnrm to the group baker-group on 2009-05-21 12:08:07 as along with 2 people girayenkavi flbarroso
	Thermodynamically dominant hydration structures of aqueous ions [My Copy] The Journal of Chemical Physics, Vol. 130, No. 19. (2009), 195102. by Safir Merchant, D. Asthagiri posted to electrostatics solvation by sobolevnrm to the group baker-group on 2009-05-20 12:46:30 as along with 5 people afenley mikaellund flbarroso dlimmer agrossfield
	Monte Carlo Simulations of Small Vesicles under Osmotic Pressure [My Copy] Langmuir, Vol. 25, No. 13. (7 July 2009), pp. 7313-7319. by T. Zehl, M. Wahab, H. J. Mögel, P. Schiller posted to biomembranes solvation by sobolevnrm to the group baker-group on 2009-05-20 12:45:55 as along with 2 people carlosjavierna paulschlesinger
	The role of lipid composition for insertion and stabilization of amino acids in membranes [My Copy] The Journal of Chemical Physics, Vol. 130, No. 18. (2009), 185101. by Anna C. V. Johansson, Erik Lindahl posted to biomembranes electrostatics pka solvation by sobolevnrm to the group baker-group on 2009-05-13 12:10:45 as along with 2 people agrossfield paulschlesinger
	Reproducing Basic pKa Values for Turkey Ovomucoid Third Domain Using a Polarizable Force Field [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Timothy H. Click, George A. Kaminski posted to electrostatics molecular_simulation pka solvation by sobolevnrm to the group baker-group on 2009-05-13 12:10:31 as
	Molecular Renormalization Group Coarse-Graining of Electrolyte Solutions: Application to Aqueous NaCl and KCl [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 22. (4 June 2009), pp. 7785-7793. by Alexey Savelyev, Garegin A. Papoian posted to electrostatics multiscale solvation by sobolevnrm to the group baker-group on 2009-05-11 12:27:55 as along with 2 people tomweingarten agrossfield
	Explicitly Representing the Solvation Shell in Continuum Solvent Calculations [My Copy] The Journal of Physical Chemistry A, Vol. 0, No. 0. (0000) by Eirik F. da Silva, Hallvard F. Svendsen, Kenneth M. Merz posted to electrostatics molecular_simulation multiscale quantum_mechanics solvation by sobolevnrm to the group baker-group on 2009-05-11 12:27:40 as along with 2 people goncalojustino carlosjavierna
	Protein Ionizable Groups: pK Values and Their Contribution to Protein Stability and Solubility [My Copy] Journal of Biological Chemistry, Vol. 284, No. 20. (15 May 2009), pp. 13285-13289. by C. Nick Pace, Gerald R. Grimsley, J. Martin Scholtz posted to electrostatics pka protein_folding review solvation by sobolevnrm to the group baker-group on 2009-05-11 12:27:23 as along with 6 people and 2 groups pjkiley scampos klexa nanonan barry paulschlesinger structural_bioinformatics McCammon
	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
	Microscopic structure and thermodynamics of a core-softened model fluid: Insights from grand canonical Monte Carlo simulations and integral equations theory [My Copy] The Journal of Chemical Physics, Vol. 130, No. 17. (2009), 174504. by Orest Pizio, Hector Dominguez, Yurko Duda, Stefan S. Owski posted to integral_equation solvation statistical_mechanics by sobolevnrm to the group baker-group on 2009-05-07 12:59:43 as
	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
	Toward Accurate Microscopic Calculation of Solvation Entropies: Extending the Restraint Release Approach to Studies of Solvation Effects [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Nidhi Singh, Arieh Warshel posted to free_energy solvation by sobolevnrm to the group baker-group on 2009-04-30 12:16:27 as
	Distributing many points on a sphere [My Copy] The Mathematical Intelligencer, Vol. 19, No. 1. (1 December 1997), pp. 5-11. by E. Saff, A. Kuijlaars posted to electrostatics geometry mathematics solvation by sobolevnrm to the group baker-group on 2009-04-29 12:27:28 as
	Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential [My Copy] Journal of Computational Chemistry, Vol. 9999, No. 9999. (2009), NA. by Dian Jiao, Jiajing Zhang, Robert E. Duke, Guohui Li, Michael J. Schnieders, Pengyu Ren posted to electrostatics free_energy protein-ligand_interactions solvation by sobolevnrm to the group baker-group on 2009-04-28 12:22:54 as along with 2 people agrossfield flbarroso
	The interpretation of protein structures: Total volume, group volume distributions and packing density [My Copy] Journal of Molecular Biology, Vol. 82, No. 1. (5 January 1974), pp. 1-14. by Frederic M. Richards posted to geometry solvation structure by sobolevnrm to the group baker-group on 2009-04-27 11:37:24 as along with 1 person timg
	Large-Scale Application of High-Throughput Molecular Mechanics with Poisson-Boltzmann Surface Area for Routine Physics-Based Scoring of Protein-Ligand Complexes. [My Copy] Journal of medicinal chemistry (22 April 2009) by Scott P P. Brown, Steven W W. Muchmore posted to electrostatics free_energy protein-ligand_interactions solvation by sobolevnrm to the group baker-group on 2009-04-24 12:33:50 as
	Self-guided Langevin dynamics study of regulatory interactions in NtrC. [My Copy] Proteins (26 March 2009) by Ana Damjanović, Bertrand E E. García-Moreno, Bernard R R. Brooks posted to electrostatics enhanced_sampling pka solvation by sobolevnrm to the group baker-group on 2009-04-23 12:30:23 as
	A one-dimensional dipole lattice model for water in narrow nanopores [My Copy] The Journal of Chemical Physics, Vol. 130, No. 15. (2009), 154110. by Jürgen Köfinger, Gerhard Hummer, Christoph Dellago posted to nanotech solvation statistical_mechanics by sobolevnrm to the group baker-group on 2009-04-23 12:29:32 as along with 1 person dlimmer
	CUSA and CUDE: GPU-Accelerated Methods for Estimating Solvent Accessible Surface Area and Desolvation [My Copy] Journal of Computational Biology, Vol. 16, No. 4. (2009), pp. 523-537. by David Dynerman, Erick Butzlaff, Julie C. Mitchell posted to geometry programming solvation by sobolevnrm to the group baker-group on 2009-04-23 12:29:07 as along with 1 person RamuAnandakrishnan
	Efficient optimization of electrostatic interactions between biomolecules [My Copy] Decision and Control, 2007 46th IEEE Conference on In Decision and Control, 2007 46th IEEE Conference on (2007), pp. 4563-4569. by J. P. Bardhan, M. D. Altman, J. K. White, B. Tidor posted to electrostatics optimization protein-nucleic_acid_interactions solvation by sobolevnrm to the group baker-group on 2009-04-21 12:31:06 as
	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
	An [script O](N[sup 2]) approximation for hydrodynamic interactions in Brownian dynamics simulations [My Copy] The Journal of Chemical Physics, Vol. 130, No. 11. (2009), 114905. by Tihamér Geyer, Uwe Winter posted to diffusion hydrodynamics kinetics molecular_dynamics solvation by sobolevnrm to the group baker-group on 2009-04-20 12:33:18 as
	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
	Conductimetric determination of thermodynamic pairing constants for symmetrical electrolytes [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 77, No. 1. (January 1980), pp. 34-38. by Raymond M. Fuoss posted to diffusion electrostatics solvation by sobolevnrm to the group baker-group on 2009-04-17 13:03:16 as
	Conductance-concentration function for associated symmetrical electrolytes [My Copy] The Journal of Physical Chemistry, Vol. 79, No. 18. (1 August 1975), pp. 1983-1983. by Raymond M. Fuoss posted to diffusion electrostatics solvation by sobolevnrm to the group baker-group on 2009-04-17 13:03:08 as
	Transition Cases in the Distribution of Ions [My Copy] Journal of the American Chemical Society, Vol. 57, No. 12. (1 December 1935), pp. 2604-2607. by Raymond M. Fuoss posted to diffusion electrostatics solvation by sobolevnrm to the group baker-group on 2009-04-17 13:03:00 as
	Reaction Fields in the Environment of Fluorescent Probes: Polarity Profiles in Membranes [My Copy] Biophysical Journal, Vol. 96, No. 7. (08 April 2009), pp. 2549-2558. by Derek Marsh posted to biomembranes electrostatics imaging solvation by sobolevnrm to the group baker-group on 2009-04-16 12:34:56 as along with 1 person agrossfield
	On removal of charge singularity in Poisson--Boltzmann equation [My Copy] The Journal of Chemical Physics, Vol. 130, No. 14. (2009), 145101. by Qin Cai, Jun Wang, Hong K. Zhao, Ray Luo posted to electrostatics mathematics solvation by sobolevnrm to the group baker-group on 2009-04-16 12:34:44 as along with 1 person onufriev
	On the Range of Water Structure Models Compatible with X-ray and Neutron Diffraction Data [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 18. (7 May 2009), pp. 6246-6255. by Kjartan T. Wikfeldt, Mikael Leetmaa, Mathias P. Ljungberg, Anders Nilsson, Lars G. M. Pettersson posted to experimental_methodology molecular_simulation solvation by sobolevnrm to the group baker-group on 2009-04-16 12:34:32 as along with 3 people qshao willard flbarroso
	Polarizable Ions at Interfaces [My Copy] Physical Review Letters, Vol. 102, No. 14. (2009), 147803. by Yan Levin posted to electrostatics free_energy molecular_simulation solvation by sobolevnrm to the group baker-group on 2009-04-15 12:13:00 as along with 1 person agrossfield
	The mean activity coefficients of 2:2 electrolyte solutions: An integral equation study of the restricted primitive model [My Copy] The Journal of Chemical Physics, Vol. 130, No. 13. (2009), 134513. by Ting H. Chung, Lloyd L. Lee posted to beyond_mean_field electrostatics integral_equation solvation statistical_mechanics by sobolevnrm to the group baker-group on 2009-04-15 12:12:48 as
	Bridging fluctuating hydrodynamics and molecular dynamics simulations of fluids [My Copy] The Journal of Chemical Physics, Vol. 130, No. 13. (2009), 134111. by Nikolaos K. Voulgarakis, Jhih W. Chu posted to molecular_dynamics solvation by sobolevnrm to the group baker-group on 2009-04-15 12:12:32 as along with 1 person vitroid
	The Molecular Origin of Like-Charge Arginine−Arginine Pairing in Water [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 27. (9 July 2009), pp. 9041-9045. by Jiří Vondrášek, Philip E. Mason, Jan Heyda, Kim D. Collins, Pavel Jungwirth posted to electrostatics pka solvation by sobolevnrm to the group baker-group on 2009-04-15 12:12:25 as along with 2 people willard edws
	Simulated x-ray scattering of protein solutions using explicit-solvent models [My Copy] The Journal of Chemical Physics, Vol. 130, No. 13. (2009), 134114. by Sanghyun Park, Jaydeep P. Bardhan, Benoît Roux, Lee Makowski posted to molecular_simulation protein-protein_interactions solvation by sobolevnrm to the group baker-group on 2009-04-15 12:12:10 as along with 1 person agrossfield
	Entropic Cost of Protein−Ligand Binding and Its Dependence on the Entropy in Solution [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Sheeba J. Irudayam, Richard H. Henchman posted to free_energy protein-ligand_interactions solvation by sobolevnrm to the group baker-group on 2009-04-15 12:11:23 as along with 2 people agrossfield mijam
	Confinement effects on the kinetics and thermodynamics of protein dimerization [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 14. (7 April 2009), pp. 5517-5522. by Wei Wang, Wei-Xin Xu, Yaakov Levy, E. Trizac, P. G. Wolynes posted to kinetics protein-protein_interactions solvation by sobolevnrm to the group baker-group on 2009-04-15 12:10:40 as along with 2 people ARobson itmeson
	An Analytical Electrostatic Model for Salt Screened Interactions between Multiple Proteins [My Copy] Journal of Chemical Theory and Computation, Vol. 2, No. 3. (1 May 2006), pp. 541-555. by Itay Lotan, Teresa Head-Gordon posted to electrostatics mathematics solvation by sobolevnrm to the group baker-group on 2009-04-15 12:09:06 as along with 1 person flbarroso
	Statistical mechanical description of liquid systems in an electric field [My Copy] Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 79, No. 4. (2009), 041104. by Semjon Stepanow, Thomas T. Albrecht posted to electrostatics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2009-04-15 12:08:09 as
	A review of statistical modelling and inference for electrical capacitance tomography [My Copy] Measurement Science and Technology, Vol. 20, No. 5. (2009), 052002. by D. Watzenig, C. Fox posted to mathematics solvation by sobolevnrm to the group baker-group on 2009-04-14 12:51:08 as
	Structure-thermodynamics relation of electrolyte solutions [My Copy] The Journal of Chemical Physics, Vol. 130, No. 13. (2009), 134507. by Immanuel Kalcher, Joachim Dzubiella posted to electrostatics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2009-04-14 12:50:51 as along with 1 person mikaellund
	Computing Ion Solvation Free Energies Using the Dipolar Poisson Model [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Patrice Koehl, Henri Orland, Marc Delarue posted to beyond_mean_field electrostatics solvation by sobolevnrm to the group baker-group on 2009-04-14 12:50:39 as along with 1 person agrossfield
	Monte Carlo Simulations of Salt Solutions: Exploring the Validity of Primitive Models [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Zareen Abbas, Elisabet Ahlberg, Sture Nordholm posted to electrostatics molecular_simulation solvation by sobolevnrm to the group baker-group on 2009-04-03 12:49:19 as
	Ions in Mixed Dielectric Solvents: Density Profiles and Osmotic Pressure between Charged Interfaces [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Dan Ben-Yaakov, David Andelman, Daniel Harries, Rudi Podgornik posted to electrostatics solvation by sobolevnrm to the group baker-group on 2009-04-02 11:58:23 as

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electrostatics	628
biomembranes	149
statistical_mechanics	138
molecular_simulation	136
pka	102
nonpolar	92
nucleic_acids	70
molecular_dynamics	60
diffusion	44
water	43
protein-ligand_interactions	40
free_energy	39
mathematics	37
multiscale	35
kinetics	34
protein_folding	33
integral_equation	32
experimental_methodology	30
beyond_mean_field	29
review	29
structure	29
md_simulation	26
protein-ligand	23
ion_channels	21
interfaces	20
protein-protein_interactions	20
binding	19
hydrophobic	19
continnum	18
quantum_mechanics	18
drug-discovery	15
software	15
theory	15
dynamics	14
nanotech	14
protein	14
protein-nucleic_acid_interactions	14
docking	13
hydration	13
geometry	11
hydrophobicity	11
apbs	10
implicit	10
bioinformatics	9
generalized-born	9
protein-protein	9
simulations	9
free-energy	8
nmr	8
thrombin	8
aminoacids	7
charges	7
fee	7
force-fields	7
forcefield	7
monte_carlo	7
paper1	7
protein-membrane_interactions	7
ab-initio	6
born	6
drug_design	6
femtosecond	6
md	6
molecular	6
peptide	6
programming	6
quantum-mechanics	6
visualization	6
design	5
experiment	5
ions	5
mechanics	5
parameters	5
poisson-boltzmann	5
allostery	4
glycine	4
interface	4
ion	4
ligand-membrane_interactions	4
lin	4
modeling	4
pb	4
pdb2pqr	4
peptides	4
perturbation	4
protein_dynamics	4
protein_engineering	4
quantum	4
simulation	4
additivity	3
atomic	3
electrostatic	3
hydrogen	3
hyperpolarizability	3
prediction	3
protein_dna	3
protein_flexibility	3
screening	3
simulation_methodology	3
solution	3

Group: baker-group - with tag solvation [more than 800 articles] Export

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