Tag electrostatics [at least 200 articles] Export

Recent papers classified by the tag electrostatics.

	pH-Dependent Association of Proteins. The Test Case of Monoclonal Antibody HyHEL-5 and Its Antigen Hen Egg White Lysozyme [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 47. (26 November 2009), pp. 15662-15669. by Maciej Długosz, Jan M. Antosiewicz, Joanna Trylska posted to titration protein-protein kinetics electrostatics diffusion brownian_dynamics binding by jmccammon to the group McCammon on 2009-11-21 20:11:33 as
	Biomolecular Electrostatics with the Linearized Poisson-Boltzmann Equation [My Copy] Biophysical Journal, Vol. 76, No. 1. (January 1999), pp. 1-16. by F. Fogolari posted to pb electrostatics analytical by onufriev on 2009-11-21 00:29:08 as along with 3 people csrocha dfgreen lillekatt
	An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions [My Copy] The Journal of Chemical Physics, Vol. 131, No. 15. (2009), 154103. by Yuchun Lin, Andrij Baumketner, Shaozhong Deng, Zhenli Xu, Donald Jacobs, Wei Cai posted to implicit-solvent electrostatics by agrossfield on 2009-11-20 17:47:03 as along with 2 people dlimmer RamuAnandakrishnan
	Polyelectrolyte compaction by pH-responsive agents [My Copy] Phys. Chem. Chem. Phys., Vol. 11, No. 46. (2009), pp. 10890-10898. by A. F. Jorge, J. M. G. Sarraguca, R. S. Dias, A. A. C. C. Pais posted to polyelectrolytes electrostatics by flbarroso on 2009-11-19 16:43:08 as
	Generalized Formula for the Electric Tunnel Effect between Similar Electrodes Separated by a Thin Insulating Film [My Copy] Journal of Applied Physics, Vol. 34, No. 6. (1963), pp. 1793-1803. by John G. Simmons posted to image_charge electrostatics by onufriev on 2009-11-04 23:43:24 as along with 2 people mountain4bike taro
	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
	Ion distribution around a charged rod in one and two component solvents: Preferential solvation and first order ionization phase transition [My Copy] The Journal of Chemical Physics, Vol. 131, No. 9. (2009), 094905. by Ryuichi Okamoto, Akira Onuki posted to statistical_mechanics solvation electrostatics by sobolevnrm on 2009-10-31 00:37:11 as
	Parameterization and Validation of Solvation Corrected Atomic Radii† [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 43. (29 October 2009), pp. 12028-12034. by Chun-Shan Zuo, Olaf Wiest, Yun-Dong Wu posted to solvation electrostatics by sobolevnrm on 2009-10-31 00:15:11 as
	Computation of Absolute Hydration and Binding Free Energy with Free Energy Perturbation Distributed Replica-Exchange Molecular Dynamics [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 10. (13 October 2009), pp. 2583-2588. by Wei Jiang, Milan Hodoscek, Benoît Roux posted to solvation molecular_simulation electrostatics by sobolevnrm on 2009-10-31 00:09:30 as along with 1 person qshao
	Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 10. (13 October 2009), pp. 2866-2878. by Carlos Campañá, Bastien Mussard, Tom K. Woo posted to molecular_simulation electrostatics by sobolevnrm on 2009-10-31 00:09:02 as
	Ion-mediated interactions in suspensions of oppositely charged nanoparticles [My Copy] The Journal of Chemical Physics, Vol. 131, No. 8. (2009), 084902. by Vincent Dahirel, Jean P. Hansen posted to statistical_mechanics electrostatics beyond_mean_field by sobolevnrm on 2009-10-29 14:03:27 as
	Electric fields at the active site of an enzyme: direct comparison of experiment with theory. [My Copy] Science (New York, N.Y.), Vol. 313, No. 5784. (14 July 2006), pp. 200-204. by Ian T. Suydam, Christopher D. Snow, Vijay S. Pande, Steven G. Boxer posted to pb electrostatics by onufriev on 2009-10-29 06:13:17 as along with 5 people charris5 flbarroso mikaellund jbchang kjell
	The black-box fast multipole method [My Copy] Journal of Computational Physics, Vol. 228, No. 23. (10 December 2009), pp. 8712-8725. by William Fong, Eric Darve posted to mathematics integral_equations electrostatics by sobolevnrm on 2009-10-26 11:37:09 as
	Complex plasmas: An interdisciplinary research field [My Copy] Reviews of Modern Physics, Vol. 81, No. 4. (2009), 1353. by Gregor E. Morfill, Alexei V. Ivlev posted to statistical_mechanics review electrostatics by sobolevnrm on 2009-10-25 19:26:40 as
	Coarse-grained simulations of charge, current and flow in heterogeneous media [My Copy] Faraday Discuss., Vol. 144 (2010), pp. 223-243. by Benjamin Rotenberg, Ignacio Pagonabarraga, Daan Frenkel posted to lattice_boltzmann electrostatics by flbarroso on 2009-10-22 12:07:29 as
	Mesoscale modelling of polyelectrolyte electrophoresis [My Copy] Faraday Discuss., Vol. 144 (2010), pp. 57-70. by Kai Grass, Christian Holm posted to polyelectrolytes electrostatics electrophoresis by flbarroso on 2009-10-22 12:06:02 as
	The impact of monovalent ion force field model in nucleic acids simulations [My Copy] Phys. Chem. Chem. Phys. (2009) by Agnes Noy, Ignacio Soteras, F. Javier Luque, Modesto Orozco posted to solvation review nucleic_acids electrostatics by sobolevnrm on 2009-10-17 01:34:55 as
	Electrostatics in the presence of dielectrics: The benefits of treating the induced surface charge density directly [My Copy] American Journal of Physics, Vol. 72, No. 2. (2004), pp. 190-196. by T. P. Doerr, Yi K. Yu posted to surface_charge electrostatics dielectric by Cbaker on 2009-10-16 20:01:39 as
	An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 9. (8 September 2009), pp. 2371-2377. by M. J. Harvey, G. De Fabritiis posted to programming electrostatics by sobolevnrm on 2009-10-16 13:42:57 as along with 1 person qshao
	Assessing the performance of implicit solvation models at a nucleic acid surface [My Copy] Phys. Chem. Chem. Phys., Vol. 10, No. 32. (2008), pp. 4889-4902. by Feng Dong, Jason A. Wagoner, Nathan A. Baker posted to solvation nucleic_acids molecular_simulation electrostatics by sobolevnrm on 2009-10-16 13:35:01 as along with 3 people and 1 group onufriev simone jmccammon McCammon
	Beyond Poisson-Boltzmann: Fluctuation effects and correlation functions [My Copy] The European Physical Journal E: Soft Matter and Biological Physics, Vol. 1, No. 2. (19 February 2000), pp. 203-214. by R. R. Netz, H. Orland posted to statistical_mechanics electrostatics beyond_mean_field by sobolevnrm on 2009-10-16 13:34:17 as along with 1 person onufriev
	Catanionic surfactant vesicles for electrostatic molecular sequestration and separation [My Copy] Phys. Chem. Chem. Phys., Vol. 11, No. 41. (2009), pp. 9315-9325. by Sara B. Lioi, Xiang Wang, Mohammad R. Islam, Emily J. Danoff, Douglas S. English posted to vesicle electrostatics colloids by flbarroso on 2009-10-15 14:59:54 as
	Universal Solvation Model Based on the Generalized Born Approximation with Asymmetric Descreening [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 9. (8 September 2009), pp. 2447-2464. by Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar posted to solvation electrostatics by sobolevnrm on 2009-10-15 12:33:33 as along with 2 people RamuAnandakrishnan acpan
	Interactions and dynamics in electrolyte solutions by dielectric spectroscopy [My Copy] Phys. Chem. Chem. Phys., Vol. 11, No. 40. (2009), pp. 8984-8999. by Richard Buchner, Glenn Hefter posted to ion-pairs electrostatics by flbarroso on 2009-10-08 14:47:13 as
	Mechanism of attraction between like-charged particles in aqueous solution [My Copy] Soft Matter, Vol. 5, No. 20. (2009), pp. 3850-3857. by Ekaterina Nagornyak, Hyok Yoo, Gerald H. Pollack posted to like-charged electrostatics colloids attractive_forces by flbarroso on 2009-10-07 12:13:50 as along with 1 person sobolevnrm
	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
	Staggered Mesh Ewald: An Extension of the Smooth Particle-Mesh Ewald Method Adding Great Versatility [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 9. (8 September 2009), pp. 2322-2338. by David S. Cerutti, Robert E. Duke, Thomas A. Darden, Terry P. Lybrand posted to molecular_simulation electrostatics by sobolevnrm on 2009-10-01 13:14:17 as
	Nonnative Electrostatic Interactions Can Modulate Protein Folding: Molecular Dynamics with a Grain of Salt [My Copy] Journal of Molecular Biology, Vol. 393, No. 2. (23 October 2009), pp. 527-542. by Ariel Azia, Yaakov Levy posted to protein_folding electrostatics by sobolevnrm on 2009-10-01 13:13:56 as along with 1 person dicksmit
	Wavelet BEM on molecular surfaces: parametrization and implementation [My Copy] Computing, Vol. 86, No. 1. (1 September 2009), pp. 1-22. by Helmut Harbrecht, Maharavo Randrianarivony posted to solvation mathematics electrostatics boundary_element by sobolevnrm on 2009-10-01 13:13:49 as
	Position-Dependent Electrostatic Protection against Protein Aggregation [My Copy] ChemBioChem, Vol. 10, No. 8. (2009), pp. 1309-1312. by Alexander K. Buell, Gian G. Tartaglia, Neil R. Birkett, et al.Christopher A. Waudby, Michele Vendruscolo, Xavier Salvatella, Mark E. Welland, Christopher M. Dobson, Tuomas P. J. Knowles posted to protein-protein electrostatics aggregation by flbarroso on 2009-09-30 23:58:05 as
	A modified Poisson-Boltzmann model including charge regulation for the adsorption of ionizable polyelectrolytes to charged interfaces, applied to lysozyme adsorption on silica. [My Copy] The journal of physical chemistry. B, Vol. 109, No. 9. (10 March 2005), pp. 4172-4180. by P. Maarten Biesheuvel, Marijn van der Veen, Willem Norde posted to protein-surface pb lysozyme electrostatics by flbarroso on 2009-09-28 16:29:16 as
	Self-consistent field theory of protein adsorption in a non-Gaussian polyelectrolyte brush. [My Copy] Physical review. E, Statistical, nonlinear, and soft matter physics, Vol. 73, No. 1 Pt 1. (January 2006) by P. Maarten Biesheuvel, Frans A. Leermakers, Martien Cohen A. Stuart posted to protein-polyelectrolyte electrostatics by flbarroso on 2009-09-28 16:27:48 as
	On the mechanism of uptake of globular proteins by polyelectrolyte brushes: a two-gradient self-consistent field analysis. [My Copy] Langmuir : the ACS journal of surfaces and colloids, Vol. 23, No. 7. (27 March 2007), pp. 3937-3946. by F. A. Leermakers, M. Ballauff, O. V. Borisov posted to protein-polyelectrolyte electrostatics brushes by flbarroso on 2009-09-28 16:26:57 as
	Field Theoretical Analysis of Driving Forces for the Uptake of Proteins by Like-Charged Polyelectrolyte Brushes: Effects of Charge Regulation and Patchiness. [My Copy] Langmuir : the ACS journal of surfaces and colloids (21 August 2009) by Wiebe M. de Vos, Frans A. Leermakers, Arie de Keizer, Martien A. Cohen Stuart, J. Mieke Kleijn posted to protein-polyelectrolyte polyelectrolytes electrostatics charge-regulation brushes by flbarroso on 2009-09-28 16:24:33 as
	Cooperativity in noncovalent interactions of biologically relevant molecules [My Copy] Phys. Chem. Chem. Phys., Vol. 11, No. 38. (2009), pp. 8440-8447. by Jens Antony, Bjorn Bruske, Stefan Grimme posted to intermolecular-forces electrostatics by flbarroso on 2009-09-23 14:53:11 as
	The effect of salt on the association between linear cationic polyelectrolytes and sodium dodecyl sulfate [My Copy] Soft Matter, Vol. 5, No. 19. (2009), pp. 3718-3726. by Agnes Abraham, Amalia Mezei, Robert Meszaros posted to electrostatics colloids coagulation aggregation by flbarroso on 2009-09-23 12:18:41 as
	Tunable attractive and repulsive interactions between pH-responsive microgels [My Copy] Soft Matter, Vol. 5, No. 19. (2009), pp. 3599-3602. by Jae K. Cho, Zhiyong Meng, L. Andrew Lyon, Victor Breedveld posted to ph electrostatics colloids by flbarroso on 2009-09-23 12:17:27 as
	Implications of a high dielectric constant in proteins [My Copy] The Journal of Chemical Physics, Vol. 126, No. 22. (2007), 225103. by Mikael Lund, Bo Jönsson, Clifford E. Woodward posted to electrostatics dielectric by flbarroso on 2009-09-13 00:39:57 as along with 1 person mikaellund
	Are Acidic and Basic Groups in Buried Proteins Predicted to be Ionized? [My Copy] Journal of Molecular Biology, Vol. 348, No. 5. (20 May 2005), pp. 1283-1298. by Jinrang Kim, Junjun Mao, M. R. Gunner posted to pka electrostatics by flbarroso on 2009-09-13 00:39:32 as along with 1 person nickolay
	CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations [My Copy] Journal of Computational Chemistry, Vol. 25, No. 1. (2004), pp. 1-16. by Sandeep Patel, Charles L. Brooks posted to md force-fields electrostatics by flbarroso on 2009-09-12 23:36:16 as along with 1 person tovrstra
	MCCE2: Improving protein p<I>K</I><SUB><FONT SIZE='-1'>a</FONT></SUB> calculations with extensive side chain rotamer sampling [My Copy] Journal of Computational Chemistry, Vol. 30, No. 14. (2009), pp. 2231-2247. by Yifan Song, Junjun Mao, M. R. Gunner posted to pka mc electrostatics continnum by flbarroso on 2009-09-12 23:26:15 as along with 3 people and 1 group girayenkavi sobolevnrm RamuAnandakrishnan baker-group
	Electrostatics of nanosystems: Application to microtubules and the ribosome [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 98, No. 18. (28 August 2001), pp. 10037-10041. by Nathan A. Baker, David Sept, Simpson Joseph, Michael J. Holst, J. Andrew McCammon posted to p2 electrostatics by nickolay on 2009-09-09 23:56:20 as along with 7 people and 1 group ras Martin8223 flbarroso ssomani gane5h qwermish mschofie structure-bii
	pH dependence of antibody: hapten association. [My Copy] Molecular immunology, Vol. 36, No. 6. (April 1999), pp. 397-410. by D. Livesay, S. Linthicum, S. Subramaniam posted to ph electrostatics antibody-antigen by flbarroso on 2009-09-07 18:12:21 as
	Role of electrostatic charge interactions in glomerular deposition of immune complexes. [My Copy] Pathobiology annual, Vol. 12 (1982), pp. 203-211. by G. R. Gallo, T. Caulin-Glaser, M. E. Lamm posted to electrostatics by flbarroso on 2009-09-07 18:11:27 as
	Role of electrostatics in antibody-antigen association: anti-hen egg lysozyme/lysozyme complex (HyHEL-5/HEL). [My Copy] Journal of biomolecular structure & dynamics, Vol. 12, No. 2. (October 1994), pp. 439-456. by S. P. Slagle, R. E. Kozack, S. Subramaniam posted to protein-protein pb lysozyme electrostatics by flbarroso on 2009-09-07 18:11:10 as
	Simulations of non-neutral slab systems with long-range electrostatic interactions in two-dimensional periodic boundary conditions [My Copy] The Journal of Chemical Physics, Vol. 131, No. 9. (2009), 094107. by V. Ballenegger, A. Arnold, J. J. Cerdà posted to electrostatics by agrossfield on 2009-09-05 15:50:03 as
	Very fast empirical prediction and rationalization of protein pK<SUB><FONT SIZE='-1'>a</FONT></SUB> values [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 61, No. 4. (1 December 2005), pp. 704-721. by Hui Li, Andrew D. Robertson, Jan H. Jensen posted to titration pka electrostatics by flbarroso on 2009-09-04 02:44:08 as along with 9 people and 1 group Martin8223 franklu310 RamuAnandakrishnan gisle bicko sim82 barry sunhwan mschofie Bioinformatics
	Efficient Computation of Casimir Interactions between Arbitrary 3D Objects [My Copy] Physical Review Letters, Vol. 103, No. 4. (2009), 040401. by M. T. Homer Reid, Alejandro W. Rodriguez, Jacob White, Steven G. Johnson posted to statistical_mechanics electrostatics by sobolevnrm on 2009-09-01 12:43:43 as along with 1 person convulted
	Association and electrostatic steering of alpha-lactalbumin-lysozyme heterodimers [My Copy] Phys. Chem. Chem. Phys. (2009) by Bjorn A. Persson, Mikael Lund posted to van-der-waals protein-protein lysozyme electrostatics alfa-lactalbumin by flbarroso on 2009-08-30 03:27:53 as along with 1 person mikaellund
	Interactions of proteins with small ionised molecules: electrochemical adsorption and facilitated ion transfer voltammetry of haemoglobin at the liquid\|liquid interface [My Copy] Analyst, Vol. 134, No. 8. (2009), pp. 1608-1613. by Gregoire Herzog, Waleed Moujahid, Jorg Strutwolf, Damien W. M. Arrigan posted to protein-drug hemoglobin electrostatics by flbarroso on 2009-08-28 12:58:20 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	82
protein-protein	80
protein	79
binding	78
molecular_dynamics	68
diffusion	61
md	60
protein-polyelectrolyte	59
bd_simulation	50
review	47
bioinformatics	44
interfaces	42
beta-lactoglobulin	41
protein-ligand_interactions	38
nonpolar	36
titration	35
dielectric	34
structure	34
poisson-boltzmann	33
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
brownian_dynamics	21
ligand	21
protein-protein_interactions	20
quantum_mechanics	20
multiscale	19
bioinf_methods	18
electrophoresis	18
hydrophobicity	18
kinetics	17
ph	17
md_simulation	16
optimization	16
coacervate	15
protein-surface	15
software	15
apbs	14
membranes	14
polyelectrolytes	14
colloids	13
dynamics	13
ionic-strength	13
nanotech	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

Tag electrostatics [at least 200 articles] Export

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