Tag pb [137 articles] Export

Recent papers classified by the tag pb.

	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
	Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures [My Copy] Journal of Computational Chemistry, Vol. 25, No. 2. (30 January 2004), pp. 265-284. by Michael Feig, Alexey Onufriev, Michael S. Lee, Wonpil Im, David A. Case, Charles L. Brooks posted to pb gb by itolokh on 2009-11-20 00:59:52 as along with 4 people allmensch yxue stephenbond Lombardo_7
	Electrostatic properties of cowpea chlorotic mottle virus and cucumber mosaic virus capsids [My Copy] Biopolymers, Vol. 82, No. 2. (June 2006), pp. 106-120. by Robert Konecny, Joanna Trylska, Florence Tama, et al.Deqiang Zhang, Nathan A. Baker, Charles L. Brooks, J. A. McCammon posted to pb capsid by RamuAnandakrishnan on 2009-11-12 18:44:48 as along with 1 person bilab
	Mono- and Trivalent Ions around DNA: A Small-Angle Scattering Study of Competition and Interactions [My Copy] Vol. 95, No. 1. (1 July 2008), pp. 287-295. by Kurt Andresen, Xiangyun Qiu, Suzette A. Pabit, et al.Jessica S. Lamb, Hye Y. Park, Lisa W. Kwok, Lois Pollack posted to pb dna_ions dna by onufriev on 2009-11-11 02:52:45 as
	Exact Solution to the Linearized Poisson–Boltzmann Equation for Spheroidal Surfaces [My Copy] Journal of Colloid and Interface Science, Vol. 178, No. 2. (25 March 1996), pp. 785-788. by Jyh-Ping Hsu, Bo-Tau Liu posted to pb by afenley on 2009-10-29 18:20:54 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
	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
	Low-temperature homoepitaxial growth on Si(111) through a Pb monolayer [My Copy] Applied Physics Letters, Vol. 73, No. 21. (1998), pp. 3120-3122. by P. G. Evans, O. D. Dubon, J. F. Chervinsky, F. Spaepen, J. A. Golovchenko posted to surfactants si111 pb mbe epitaxial by kken on 2009-09-24 00:06:58 as
	Doping by metal-mediated epitaxy: Growth of As delta-doped Si through a Pb monolayer [My Copy] Applied Physics Letters, Vol. 78, No. 11. (2001), pp. 1505-1507. by O. D. Dubon, P. G. Evans, J. F. Chervinsky, et al.M. J. Aziz, F. Spaepen, J. A. Golovchenko, M. F. Chisholm, D. A. Muller posted to si111 si pb mbe as by kken on 2009-09-17 03:02:05 as
	Computational analysis of the cathepsin B inhibitors activities through LR-MMPBSA binding affinity calculation based on docked complex [My Copy] Journal of Computational Chemistry, Vol. 30, No. 14. (2009), pp. 2165-2175. by Zhigang Zhou, Yanli Wang, Stephen H. Bryant posted to solvent_accessible_surface pb free_energy docking cathepsin by flbarroso on 2009-09-12 23:24:25 as
	Protein-protein recognition and interaction hot spots in an antigen-antibody complex: free energy decomposition identifies "efficient amino acids". [My Copy] Proteins, Vol. 67, No. 2. (1 May 2007), pp. 418-434. by Virginie Lafont, Michael Schaefer, Roland H. Stote, Danièle Altschuh, Annick Dejaegere posted to surface_area protein-protein pb by flbarroso on 2009-09-07 18:11:54 as along with 2 people higueruelo jteyra
	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
	Semiconductor and Metal Nanoparticle Formation on Polymer Spheres Coated with Weak Polyelectrolyte Multilayers [My Copy] Chemistry of Materials, Vol. 16, No. 16. (1 August 2004), pp. 3066-3073. by Peter Schuetz, Frank Caruso posted to s polymer pb pah paa nanoparticles core-shell by oldricefield on 2009-08-27 10:30:55 as
	How Well Does Poisson−Boltzmann Implicit Solvent Agree with Explicit Solvent? A Quantitative Analysis [My Copy] The Journal of Physical Chemistry B, Vol. 110, No. 37. (1 September 2006), pp. 18680-18687. by Chunhu Tan, Lijiang Yang, Ray Luo posted to solvation pb continnum by flbarroso on 2009-08-24 21:40:06 as along with 1 person and 1 group sobolevnrm baker-group
	Order N algorithm for computation of electrostatic interactions in biomolecular systems [My Copy] Proceedings of the National Academy of Sciences, Vol. 103, No. 51. (19 December 2006), pp. 19314-19319. by Benzhuo Lu, Xiaolin Cheng, Jingfang Huang, J. Andrew Mccammon posted to pb electrostatics by flbarroso on 2009-08-14 15:35:33 as along with 5 people dmitry_s_yershov stephenbond eyliu choonpeng qwermish
	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 pb by onufriev on 2009-08-14 02:47:18 as along with 1 person and 1 group sobolevnrm baker-group
	Where the linearized Poisson--Boltzmann cell model fails: Spurious phase separation in charged colloidal suspensions [My Copy] The Journal of Chemical Physics, Vol. 119, No. 3. (2003), pp. 1855-1865. by M. N. Tamashiro, H. Schiessel posted to pb by onufriev on 2009-08-13 23:17:37 as along with 1 person softsimu
	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 pb implicit_solvation by onufriev on 2009-08-13 23:10:21 as along with 3 people and 1 group sobolevnrm simone jmccammon McCammon
	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 pb ions dna_ions by onufriev on 2009-08-13 23:05:42 as along with 2 people and 1 group jeevanjyoti sobolevnrm baker-group
	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 pb implicit_solvation beyond_pb by onufriev on 2009-08-13 23:02:31 as along with 1 person sobolevnrm
	Influence of Pb impurity on melting point and metallography of Sn-5wt%Sb alloy [My Copy] Electronics and Communications in Japan (Part II: Electronics), Vol. 81, No. 1. (1998), pp. 1-12. by Tsuneo Endoh, Yasutoshi Kurihara posted to impurity pb by kendix on 2009-07-26 18:18:32 as
	Combined conformational search and finite-difference Poisson-Boltzmann approach for flexible docking. Application to an operator mutation in the lambda repressor-operator complex. [My Copy] Journal of molecular biology, Vol. 238, No. 3. (6 May 1994), pp. 455-465. by M. Zacharias, B. A. Luty, M. E. Davis, J. A. McCammon posted to dna docking electrostatics pb protein-dna by flbarroso on 2009-07-21 19:03:57 as
	On the magnitude of the electrostatic contribution to ligand-DNA interactions. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 92, No. 10. (9 May 1995), pp. 4691-4695. by V. K. Misra, B. Honig posted to dna electrostatics pb protein-dna by flbarroso on 2009-07-21 19:03:06 as
	Poisson-Boltzmann analysis of the lambda repressor-operator interaction. [My Copy] Biophysical journal, Vol. 63, No. 5. (November 1992), pp. 1280-1285. by M. Zacharias, B. A. Luty, M. E. Davis, J. A. McCammon posted to dna electrostatics pb by flbarroso on 2009-07-21 19:02:35 as along with 1 person dfgreen
	Electrostatic contributions to the binding free energy of the lambdacI repressor to DNA. [My Copy] Biophysical journal, Vol. 75, No. 5. (November 1998), pp. 2262-2273. by V. K. Misra, J. L. Hecht, A. S. Yang, B. Honig posted to dna electrostatics pb protein-dna by flbarroso on 2009-07-21 19:02:04 as along with 1 person afenley
	Electrostatic contributions to the stability of halophilic proteins. [My Copy] Journal of molecular biology, Vol. 280, No. 4. (24 July 1998), pp. 731-748. by A. H. Elcock, J. A. McCammon posted to aggregation electrostatics ionic-strength pb ph-effect pk by flbarroso on 2009-07-21 19:01:07 as
	Do salt bridges stabilize proteins? A continuum electrostatic analysis. [My Copy] Protein science : a publication of the Protein Society, Vol. 3, No. 2. (February 1994), pp. 211-226. by Z. S. Hendsch, B. Tidor posted to continnum electrostatics pb by flbarroso on 2009-07-21 19:00:03 as along with 1 person dfgreen
	Interaction of charged surfaces in electrolyte solutions [My Copy] Chemical Physics Letters, Vol. 127, No. 4. (20 June 1986), pp. 402-407. by R. Kjellander, S. Marelja posted to colloids double_layer electrostatics ion-ion_correlation pb by flbarroso on 2009-07-21 15:59:13 as
	Electrical double layer forces. A Monte Carlo study [My Copy] The Journal of Chemical Physics, Vol. 80, No. 5. (1984), pp. 2221-2228. by Lars Guldbrand, Bo Jönsson, Haa K. Wennerström, Per Linse posted to colloids electrostatics ion-ion_correlation mc pb by flbarroso on 2009-07-21 15:58:07 as along with 1 person dna
	Electrostatistics of counter-ions at and between planar charged walls: From Poisson-Boltzmann to the strong-coupling theory [My Copy] The European Physical Journal E: Soft Matter and Biological Physics, Vol. 5, No. 5. (1 August 2001), pp. 557-574. by R. R. Netz posted to electrostatics like-charged pb by flbarroso on 2009-07-21 15:56:33 as along with 1 person and 1 group sobolevnrm 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 electrostatics microtubules pb ribosome by flbarroso on 2009-07-21 15:54:39 as along with 7 people and 1 group nickolay ras Martin8223 ssomani gane5h qwermish mschofie structure-bii
	A new outer boundary formulation and energy corrections for the nonlinear Poisson-Boltzmann equation. [My Copy] Journal of computational chemistry, Vol. 28, No. 5. (15 April 2007), pp. 909-921. by A. H. Boschitsch, M. O. Fenley posted to electrostatics pb by flbarroso on 2009-07-19 19:19:58 as
	Predicting the rate enhancement of protein complex formation from the electrostatic energy of interaction. [My Copy] Journal of molecular biology, Vol. 287, No. 2. (26 March 1999), pp. 409-419. by T. Selzer, G. Schreiber posted to acetylcholinesterase barnase barstar electrostatics fasciculin hirudin pb protein-protein thrombin by flbarroso on 2009-07-19 19:09:17 as
	Unraveling the Importance of Protein−Protein Interaction: Application of a Computational Alanine-Scanning Mutagenesis to the Study of the IgG1 Streptococcal Protein G (C2 Fragment) Complex [My Copy] The Journal of Physical Chemistry B, Vol. 110, No. 22. (1 June 2006), pp. 10962-10969. by Irina S. Moreira, Pedro A. Fernandes, Maria J. Ramos posted to binding igg immunoglobulin pb protein-protein solvent_accessible_surface by flbarroso on 2009-07-19 04:20:33 as along with 2 people IrinaMoreira higueruelo
	Some Theoretical and Computational Aspects of the Inclusion of Proton Isomerism in the Protonation Equilibrium of Proteins [My Copy] The Journal of Physical Chemistry B, Vol. 105, No. 1. (1 January 2001), pp. 293-309. by Antonio M. Baptista, Claudio M. Soares posted to electrostatics pb pka titration by flbarroso on 2009-07-19 03:32:26 as
	Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf. [My Copy] Journal of computational chemistry, Vol. 25, No. 2. (30 January 2004), pp. 238-250. by H. Gohlke, D. A. Case posted to born free_energy pb protein-protein ras-raf solvent_accessible_surface by flbarroso on 2009-07-19 02:14:56 as along with 3 people bmduggan onufriev lillekatt
	Improving implicit solvent simulations: a Poisson-centric view [My Copy] Current Opinion in Structural Biology, Vol. 15, No. 2. (April 2005), pp. 137-143. by N. Baker posted to born continnum electrostatics pb by flbarroso on 2009-07-19 02:00:02 as along with 5 people oteri softsimu ttjoseph qwermish RamuAnandakrishnan
	Real Ionic Solutions in the Mean Spherical Approximation. 1. Simple Salts in the Primitive Model [My Copy] The Journal of Physical Chemistry, Vol. 100, No. 18. (1 January 1996), pp. 7704-7709. by Jean-Pierre Simonin, Lesser Blum, Pierre Turq posted to activity_coefficients continnum electrostatics ionic-strength pb by flbarroso on 2009-07-17 02:11:01 as
	Electrostatic Models for Calcium Binding Proteins [My Copy] The Journal of Physical Chemistry B, Vol. 102, No. 43. (1 October 1998), pp. 8599-8610. by Robert Penfold, James Warwicker, Bo Jonsson posted to calcium-binding electrostatics ion-binding mc pb by flbarroso on 2009-07-17 02:04:46 as
	Discretization of the induced-charge boundary integral equation [My Copy] Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 80, No. 1. (2009), 011906. by Jaydeep P. Bardhan, Robert S. Eisenberg, Dirk Gillespie posted to electrostatics pb by flbarroso on 2009-07-17 00:19:37 as
	Protein−Ion Binding Process on Finite Macromolecular Concentration. A Poisson−Boltzmann and Monte Carlo Study [My Copy] The Journal of Physical Chemistry B, Vol. 112, No. 51. (25 December 2008), pp. 16766-16776. by Sidney J. de Carvalho, Márcia O. Fenley, F. L. B. Da Silva posted to calcium-binding concentration-effect electrostatics ion-binding mc pb by flbarroso on 2009-07-17 00:17:49 as along with 1 person and 1 group sobolevnrm baker-group
	Solvation free energy of protein reproduced by the combination of the extended scaled particle theory and the Poisson-Boltzmann equation [My Copy] Journal of Molecular Liquids, Vol. 65-66 (November 1995), pp. 381-384. by M. Irisa posted to electrostatics free_energy pb solvation by flbarroso on 2009-07-16 17:33:24 as
	IONIC EFFECTS BEYOND POISSON-BOLTZMANN THEORY [My Copy] Annual Review of Physical Chemistry, Vol. 50, No. 1. (1999), pp. 145-165. by Vojko Vlachy posted to charge-regulation electrostatics ion-ion_correlation pb by flbarroso on 2009-07-15 05:09:16 as along with 3 people ras scampos softsimu
	Empirical free energy calculations: a blind test and further improvements to the method [My Copy] Journal of Molecular Biology, Vol. 268, No. 2. (02 May 1997), pp. 401-411. by J. Novotny posted to antibody-antigen electrostatics free_energy hydrophobicity lysozyme pb by flbarroso on 2009-07-15 03:58:26 as
	Calculation of electrostatic potentials in an enzyme active site [My Copy] Nature, Vol. 330, No. 6143. (5 November 1987), pp. 84-86. by Michael K. Gilson, Barry H. Honig posted to electrostatics enzyme pb by flbarroso on 2009-07-15 03:53:19 as along with 1 person dfgreen
	Free Energy Determinants of Secondary Structure Formation: II. Antiparallel β-Sheets [My Copy] Journal of Molecular Biology, Vol. 252, No. 3. (22 September 1995), pp. 366-376. by A. Yang posted to electrostatics folding free_energy pb prediction by flbarroso on 2009-07-15 03:48:00 as along with 1 person chiufanlee
	Proton Binding to Proteins: pKa Calculations with Explicit and Implicit Solvent Models [My Copy] Journal of the American Chemical Society, Vol. 126, No. 13. (1 April 2004), pp. 4167-4180. by Thomas Simonson, Jens Carlsson, David A. Case posted to born continnum electrostatics pb pka thioredoxin by flbarroso on 2009-07-15 03:43:25 as along with 5 people and 1 group fralium 6rheology sobolevnrm RamuAnandakrishnan dmobley baker-group
	pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model [My Copy] Biochemistry, Vol. 29, No. 44. (1 November 1990), pp. 10219-10225. by Donald Bashford, Martin Karplus posted to continnum electrostatics pb pka by flbarroso on 2009-07-15 03:42:00 as along with 3 people girayenkavi scampos dsmueller
	Free Energy Determinants of Secondary Structure Formation: I. α-Helices [My Copy] Journal of Molecular Biology, Vol. 252, No. 3. (22 September 1995), pp. 351-365. by A. Yang posted to electrostatics free_energy pb protein by flbarroso on 2009-07-15 03:35:06 as along with 1 person chiufanlee
	The Determinants of pKas in Proteins† [My Copy] Biochemistry, Vol. 35, No. 24. (1 January 1996), pp. 7819-7833. by Jan Antosiewicz, J. Andrew Mccammon, Michael K. Gilson posted to electrostatics pb pka by flbarroso on 2009-07-15 03:32:37 as along with 4 people scampos onufriev dfgreen RamuAnandakrishnan

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electrostatics	82
implicit_solvation	30
pka	16
bioinformatics	14
continnum	14
protein-protein	10
free_energy	9
gb	9
dna	7
protein	7
bm	6
molecular_dynamics	6
surface	6
lysozyme	5
born	4
demand	4
dna_electrostatics	4
dna_ions	4
hydrophobicity	4
outcome	4
parasite-production	4
solvation	4
alphabet	3
calcium-binding	3
colloids	3
dielectric	3
file-import-09-06-09	3
hirudin	3
implicit_solvent	3
ion-ion_correlation	3
ionic-strength	3
mc	3
md	3
pk	3
protein-dna	3
solvent_accessible_surface	3
thrombin	3
analytical	2
barnase	2
binding	2
blend	2
blood	2
calbindin	2
capsid	2
cb	2
comparisons	2
cord	2
docking	2
droplet	2
ellipsoid	2
hla-c	2
immunology	2
ion-binding	2
ions	2
lab3	2
like-charged	2
mbe	2
mismatch	2
nlpb	2
nom	2
poisson-bolzmann	2
polybutene	2
ric	2
si111	2
typing	2
water_models	2
bayes	1
beta-lactoglobulin	1
complement	1
esp	1
evaluation	1
genetics	1
graph	1
immunity	1
in-situ_observation	1
invasion	1
mmpbsa	1
modeling	1
nagoya	1
ookinete	1
oppositely-charged	1
origin	1
paracoccidioides	1
pdms	1
ph	1
photoluminescence	1
plastic_deformation	1
polybutadiene	1
polydimethylsiloxane	1
pro	1
protein-surface	1
ras-raf	1
reviews	1
rheo-optical	1
roc	1
scoring	1
sod	1
superconductivity	1
surfactants	1
taxonomy	1

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