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

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

	Nanoscopic description of biomembrane electrostatics: Results of molecular dynamics simulations and fluorescence probing [My Copy] Chemistry and Physics of Lipids (27 May 2009) by Alexander P. Demchenko, Semen O. Yesylevskyy posted to biomembranes electrostatics by sobolevnrm to the group baker-group on 2009-06-09 12:27:39 as along with 2 people flbarroso paulschlesinger
	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
	Parallel multigrid summation for the N-body problem [My Copy] Journal of Parallel and Distributed Computing, Vol. 65, No. 8. (August 2005), pp. 949-962. by Jesus A. Izaguirre, Scott S. Hampton, Thierry Matthey posted to electrostatics programming by sobolevnrm to the group baker-group on 2009-05-28 12:31:39 as along with 2 people r2s2 softsimu
	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
	Darwinian biophysics: Electrostatics and evolution in the kinetics of molecular binding [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 19. (12 May 2009), pp. 7683-7684. by J. Andrew McCammon posted to diffusion electrostatics review by sobolevnrm to the group baker-group on 2009-05-27 12:02:43 as along with 4 people flbarroso apaydin shenjjjj jjray
	Salt induced asymmetry in membrane simulations by partial restriction of ionic motion. [My Copy] The Journal of chemical physics, Vol. 130, No. 19. (21 May 2009) by Fernando E E. Herrera, Sergio Pantano posted to biomembranes electrostatics molecular_simulation by sobolevnrm to the group baker-group on 2009-05-27 12:02:13 as
	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
	An Adaptive Fast Multipole Boundary Element Method for Poisson−Boltzmann Electrostatics [My Copy] Journal of Chemical Theory and Computation, Vol. 0, No. 0. (0000) by Benzhuo Lu, Xiaolin Cheng, Jingfang Huang, Andrew J. Mccammon posted to boundary_element electrostatics mathematics by sobolevnrm to the group baker-group on 2009-05-26 12:44:44 as
	Intrinsic Potential of Cell Membranes: Opposite Effects of Lipid Transmembrane Asymmetry and Asymmetric Salt Ion Distribution [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 20. (21 May 2009), pp. 7194-7198. by Andrey A. Gurtovenko, Ilpo Vattulainen posted to biomembranes electrostatics by sobolevnrm to the group baker-group on 2009-05-26 12:44:31 as along with 1 person 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
	Characterization of Large Conformational Changes and Autoproteolysis in the Maturation of a T=4 Virus Capsid [My Copy] J. Virol., Vol. 83, No. 2. (15 January 2009), pp. 1126-1134. by Tsutomu Matsui, Gabriel Lander, John E. Johnson posted to electrostatics pka structure virus by sobolevnrm to the group baker-group on 2009-05-19 11:59:51 as
	Electrical double layer, zeta potential, and electrophoretic charge of double-stranded DNA. [My Copy] Biopolymers, Vol. 16, No. 7. (July 1977), pp. 1415-1434. by J. A. Schellman posted to electrostatics nucleic_acids by sobolevnrm to the group baker-group on 2009-05-13 12:10:58 as along with 1 person onufriev
	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 dynamics simulations of strongly coupled plasmas [My Copy] Journal of Physics A: Mathematical and Theoretical, Vol. 42, No. 21. (2009), 214029. by Z. Donko posted to beyond_mean_field electrostatics molecular_dynamics statistical_mechanics by sobolevnrm to the group baker-group on 2009-05-08 12:27:32 as
	Simple field theoretical approach of Coulomb systems. Entropic effects [My Copy] Journal of Physics A: Mathematical and Theoretical, Vol. 42, No. 21. (2009), 214038. by Di D. Caprio, J. P. Badiali, M. Holovko posted to beyond_mean_field electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2009-05-08 12:27:10 as
	Simulating the electrostatic guidance of the vectorial translocations in hexameric helicases and translocases [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 18. (5 May 2009), pp. 7449-7454. by Hanbin Liu, Yemin Shi, Xiaojiang S. Chen, Arieh Warshel posted to diffusion electrostatics protein-nucleic_acid_interactions by sobolevnrm to the group baker-group on 2009-05-07 12:59:56 as along with 1 person and 1 group barry McCammon
	Correlation effects, image charge effects and finite size in the macro-ion-electrolyte system: A field-theoretic approach [My Copy] The European Physical Journal E: Soft Matter and Biological Physics, Vol. 28, No. 4. (1 April 2009), pp. 419-440. by D. Lee posted to beyond_mean_field electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2009-05-07 12:58:56 as
	Dissection of the high rate constant for the binding of a ribotoxin to the ribosome [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 17. (28 April 2009), pp. 6974-6979. by Sanbo Qin, Huan-Xiang Zhou posted to diffusion electrostatics ribosome by sobolevnrm to the group baker-group on 2009-04-29 12:27:38 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
	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
	Effect of Surface Charge on Colloidal Charge Reversal [My Copy] The Journal of Physical Chemistry B (22 April 2009), 090422124644022. by A. Martiìn-Molina, C. Rodriìguez-Beas, R. Hidalgo-Aìlvarez, M. Quesada-Peìrez posted to beyond_mean_field diffusion electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2009-04-23 12:32:20 as
	Effect of acetylsalicylic acid on the current–voltage characteristics of planar lipid membranes [My Copy] Biophysical Chemistry, Vol. 142, No. 1-3. (June 2009), pp. 27-33. by Cezary Watala, Aleksandr Drapeza, Valery Loban, Monika Asztemborska, Dzmitry Shcharbin posted to biomembranes electrostatics salicylate by sobolevnrm to the group baker-group on 2009-04-23 12:31:48 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
	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
	Symmetry breaking and electrostatic attraction between two identical surfaces [My Copy] Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 79, No. 4. (2009), 041404. by F. Plouraboué, H. C. Chang posted to beyond_mean_field electrostatics interfaces statistical_mechanics by sobolevnrm to the group baker-group on 2009-04-20 12:35:57 as along with 2 people onufriev jeevanjyoti
	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
	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
	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 1 person edws
	Comparison of the Extended Isotropic Periodic Sum and Particle Mesh Ewald Methods for Simulations of Lipid Bilayers and Monolayers [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Richard M. Venable, Linda E. Chen, Richard W. Pastor posted to biomembranes electrostatics interfaces molecular_simulation by sobolevnrm to the group baker-group on 2009-04-15 12:11:12 as along with 1 person agrossfield
	Rigorous treatment of electrostatics for spatially varying dielectrics based on energy minimization [My Copy] Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 79, No. 4. (2009), 041907. by O. I. Obolensky, T. P. Doerr, R. Ray, Yi K. Yu posted to electrostatics by sobolevnrm to the group baker-group on 2009-04-15 12:10:50 as
	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
	Electrostatic origin of the Frank elastic energy and anisotropic line tension of the domains in monolayers at the air-water interface [My Copy] The European Physical Journal E: Soft Matter and Biological Physics by T. Yamamoto, T. Manaka, M. Iwamoto posted to biomembranes electrostatics mechanics by sobolevnrm to the group baker-group on 2009-04-14 12:52:38 as
	Lipid-Protein Interactions Drive Membrane Protein Topogenesis in Accordance with the Positive Inside Rule [My Copy] J. Biol. Chem., Vol. 284, No. 15. (10 April 2009), pp. 9637-9641. by Mikhail Bogdanov, Jun Xie, William Dowhan posted to biomembranes electrostatics protein-membrane_interactions by sobolevnrm to the group baker-group on 2009-04-14 12:51:22 as along with 1 person paulschlesinger
	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

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solvation	628
biomembranes	184
pka	181
statistical_mechanics	172
molecular_simulation	122
beyond_mean_field	97
nucleic_acids	91
mathematics	87
pb	79
protein	79
protein-protein	77
binding	75
molecular_dynamics	68
md	60
protein-polyelectrolyte	59
diffusion	58
bd_simulation	50
review	47
bioinformatics	44
interfaces	42
beta-lactoglobulin	41
protein-ligand_interactions	38
nonpolar	36
dielectric	34
structure	34
poisson-boltzmann	33
titration	32
folding	31
free_energy	31
continnum	30
implicit_solvation	29
ion_channels	27
lysozyme	26
charge-regulation	25
protein_folding	25
dna	24
protein-nucleic_acid_interactions	24
implicit_solvent	23
ligand	21
protein-protein_interactions	20
quantum_mechanics	20
multiscale	19
bioinf_methods	18
brownian_dynamics	18
electrophoresis	18
hydrophobicity	18
ph	17
md_simulation	16
optimization	16
coacervate	15
protein-surface	15
software	15
apbs	14
kinetics	14
membranes	14
colloids	13
dynamics	13
ionic-strength	13
nanotech	13
polyelectrolytes	13
protein-ligand	13
algorithms	12
born	12
complexation	12
ewald-summation	12
alfa-lactalbumin	11
biology	11
masters	11
molecular	11
protein_structure	11
albumin	10
computation	10
integral_equation	10
ion-binding	10
mechanics	10
membrane	10
stability	10
applications	9
calcium-binding	9
drug-discovery	9
physics	9
plasma	9
poisson	9
aggregation	8
antibody-antigen	8
barnase	8
design	8
docking	8
enzyme	8
gb	8
nmr	8
pdb2pqr	8
protein-membrane_interactions	8
protein_design	8
protein_engineering	8
protein_evolution	8
protein_protein	8
acacia	7
generalized-born	7
patch	7

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

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