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Recent papers classified by the tag gb.

	Desolvation effects on the dissociation energy of diatomic molecules:Ab initio study of the dissociation of Li-F in polar media [My Copy] Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 86, No. 3. (1 August 1993), pp. 211-217. by J. Lahsen, A. Toro-Labbe, R. Contreras, A. Aizman posted to solvation gb by itolokh on 2009-12-14 22:38:52 as
	A comparison of generalized Born methods in folding simulations [My Copy] Chemical Physics Letters, Vol. 460, No. 1-3. (20 July 2008), pp. 295-299. by Tohru Terada,, Kentaro Shimizu, posted to implicit_solvation gb by boris_aguilar on 2009-12-12 00:49:34 as
	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
	Evaluation of Salt Bridge Structure and Energetics in Peptides Using Explicit, Implicit, and Hybrid Solvation Models [My Copy] Journal of Chemical Theory and Computation, Vol. 4, No. 3. (1 March 2008), pp. 488-498. by Asim Okur, Lauren Wickstrom, Carlos Simmerling posted to salt_bridge gb by onufriev on 2009-11-19 18:32:30 as along with 2 people and 1 group sobolevnrm dmobley baker-group
	Investigation of Salt Bridge Stability in a Generalized Born Solvent Model [My Copy] Journal of Chemical Theory and Computation, Vol. 2, No. 1. (1 January 2006), pp. 115-127. by Raphael Geney, Melinda Layten, Roberto Gomperts, Viktor Hornak, Carlos Simmerling posted to salt_bridge gb by onufriev on 2009-11-19 18:22:09 as along with 2 people baaden choonpeng
	Ricci Dark Energy in braneworld models with a Gauss-Bonnet term in the bulk [My Copy] Physics Letters B, Vol. 679, No. 2. (20 Apr 2009), pp. 151-155. by Chao-Jun Feng, Xin-Zhou Li posted to gb dgp by pvmoniz on 2009-11-18 22:46:33 as
	Novel generalized Born methods [My Copy] The Journal of Chemical Physics, Vol. 116, No. 24. (2002), pp. 10606-10614. by Michael S. Lee, Jr, Charles L. Brooks posted to gb by ckmyo on 2009-11-09 17:43:59 as
	Theory and applications of the generalized born solvation model in macromolecular simulations [My Copy] Biopolymers, Vol. 56, No. 4. (4 December 2000), pp. 275-291. by Vickie Tsui, David A. Case posted to simulation gb born by Vadikus on 2009-11-08 21:39:03 as along with 5 people oteri flbarroso Lombardo_7 ttjoseph RamuAnandakrishnan
	Parametrized Models of Aqueous Free Energies of Solvation Based on Pairwise Descreening of Solute Atomic Charges from a Dielectric Medium [My Copy] The Journal of Physical Chemistry, Vol. 100, No. 51. (1 January 1996), pp. 19824-19839. by Gregory D. Hawkins, Christopher J. Cramer, Donald G. Truhlar posted to simulation gb born by Vadikus on 2009-11-08 21:33:59 as
	Secondary Structure Bias in Generalized Born Solvent Models: Comparison of Conformational Ensembles and Free Energy of Solvent Polarization from Explicit and Implicit Solvation [My Copy] J. Phys. Chem. B, Vol. 111, No. 7. (22 February 2007), pp. 1846-1857. by D. R. Roe, A. Okur, L. Wickstrom, V. Hornak, C. Simmerling posted to gb by RamuAnandakrishnan on 2009-11-06 18:59:38 as along with 5 people and 1 group flbarroso baaden choonpeng sobolevnrm onufriev baker-group
	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 gb by RamuAnandakrishnan on 2009-11-06 18:55:40 as along with 8 people and 2 groups krapnik mikaellund oteri nickolay flbarroso choonpeng sobolevnrm onufriev Structural Biology Group TorVergata baker-group
	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 gb by RamuAnandakrishnan on 2009-09-30 00:15:14 as along with 2 people sobolevnrm acpan
	Approximate atomic surfaces from linear combinations of pairwise overlaps (LCPO) [My Copy] Journal of Computational Chemistry, Vol. 20, No. 2. (1999), pp. 217-230. by Jörg Weiser, Peter S. Shenkin, W. Clark Still posted to gb by RamuAnandakrishnan on 2009-08-04 19:14:30 as along with 1 person mijam
	Metabolism of dimethylsulfoniopropionate and glycine betaine by a marine bacterium [My Copy] FEMS Microbiology Letters, Vol. 96, No. 1. (1992), pp. 61-65. by Mara R. Diaz, Pieter T. Visscher, Barrie F. Taylor posted to dmsp download gb osmolyte zwitterion by qshao on 2009-07-20 06:13:34 as
	Fourier transform convolution integrals applied to generalized Born molecular volume [My Copy] Journal of Computational Chemistry, Vol. 9999, No. 9999. (2009), NA. by Thierry Schüpbach, Vincent Zoete, Brice Tsakam-Sotché, Olivier Michielin posted to gb by RamuAnandakrishnan on 2009-06-27 14:26:43 as
	Protein folding by zipping and assembly. [My Copy] Proc Natl Acad Sci U S A, Vol. 104, No. 29. (17 July 2007), pp. 11987-11992. by S. B. Ozkan, G. A. Wu, J. D. Chodera, K. A. Dill posted to gb protein_folding by onufriev on 2009-06-21 05:39:45 as along with 4 people aqeel wouterboomsma cdeane ARobson
	A Gaussian Description of Molecular Shape [My Copy] The Journal of Physical Chemistry, Vol. 99, No. 11. (1 March 1995), pp. 3503-3510. by J. A. Grant, B. T. Pickup posted to gb implicit_solvation surface by onufriev on 2009-06-16 01:34:29 as along with 1 person sobolevnrm
	Effective Born radii in the generalized Born approximation: the importance of being perfect. [My Copy] J Comput Chem, Vol. 23, No. 14. (15 November 2002), pp. 1297-1304. by A. Onufriev, D. A. Case, D. Bashford posted to analytical_electrostatics effective_radii gb by boris_aguilar on 2009-05-21 16:46:01 as along with 3 people Lombardo_7 ttjoseph Martin8223
	Exploring protein native states and large-scale conformational changes with a modified generalized born model. [My Copy] Proteins, Vol. 55, No. 2. (1 May 2004), pp. 383-394. by A. Onufriev, D. Bashford, D. A. Case posted to analytical_electrostatics effective_radii gb by boris_aguilar on 2009-05-20 00:01:47 as along with 3 people RamuAnandakrishnan allmensch choonpeng
	Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulations [My Copy] Journal of Computational Chemistry, Vol. 27, No. 6. (2006), pp. 719-729. by Jana Chocholouscaronová, Michael Feig posted to gb implicit_solvation molecular_dynamics by boris_aguilar on 2009-05-19 16:24:02 as along with 1 person yxue
	Characterizing Loop Dynamics and Ligand Recognition in Human- and Avian-Type Influenza Neuraminidases via Generalized Born Molecular Dynamics and End-Point Free Energy Calculations [My Copy] Journal of the American Chemical Society, Vol. 0, No. 0. (0000) by Rommie E. Amaro, Xiaolin Cheng, Ivaylo Ivanov, Dong Xu, Andrew J. Mccammon posted to drug_design gb by onufriev on 2009-05-18 08:25:54 as along with 1 person zwang
	Generalized Born Model with a Simple, Robust Molecular Volume Correction [My Copy] J. Chem. Theory Comput., Vol. 3, No. 1. (9 January 2007), pp. 156-169. by J. Mongan, C. Simmerling, J. A. Mccammon, D. A. Case, A. Onufriev posted to gb implicit_solvation by boris_aguilar on 2009-05-16 05:08:59 as along with 1 person RamuAnandakrishnan
	Economic Organization, Capabilities and Coordination: Essays in Honour of G.B. Richardson [My Copy] (19 March 1998) by Nicolai Foss posted to capabilities coordination economic essays gb honour organization richardson by derchao on 2009-05-07 15:49:00 as
	Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory [My Copy] The Journal of Chemical Physics, Vol. 129, No. 14. (2008) by Jaydeep P. Bardhan posted to electrostatics gb by onufriev on 2009-01-08 21:56:05 as along with 2 people and 1 group sobolevnrm agrossfield baker-group
	A new FFT-based algorithm to compute Born radii in the generalized Born theory of biomolecule solvation [My Copy] Journal of Computational Physics, Vol. 227, No. 24. (20 December 2008), pp. 10162-10177. by W. Cai, Z. Xu, A. Baumketner posted to gb by onufriev on 2008-12-23 19:48:50 as along with 1 person RamuAnandakrishnan
	Inclusion of Solvation in Ligand Binding Free Energy Calculations Using the Generalized-Born Model [My Copy] Journal of the American Chemical Society, Vol. 121, No. 35. (1 September 1999), pp. 8033-8043. by Xiaoqin Zou, Yaxiong, Irwin D. Kuntz posted to gb protein_ligand by onufriev on 2008-11-04 23:52:20 as along with 1 person nickolay
	Integrated Modeling Program, Applied Chemical Theory (IMPACT). [My Copy] Journal of computational chemistry, Vol. 26, No. 16. (December 2005), pp. 1752-1780. by Jay L. Banks, Hege S. Beard, Yixiang Cao, et al.Art E. Cho, Wolfgang Damm, Ramy Farid, Anthony K. Felts, Thomas A. Halgren, Daniel T. Mainz, Jon R. Maple, Robert Murphy, Dean M. Philipp, Matthew P. Repasky, Linda Y. Zhang, Bruce J. Berne, Richard A. Friesner, Emilio Gallicchio, Ronald M. Levy posted to gb molecular_dynamics by onufriev on 2008-11-02 01:44:59 as along with 2 people oteri flbarroso
	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 gb protein_ligand by onufriev on 2008-11-02 00:40:27 as along with 3 people flbarroso bmduggan lillekatt
	A Generalized-Born Solvation Model for Macromolecular Hybrid-Potential Calculations [My Copy] J. Phys. Chem. A, Vol. 106, No. 7. (21 February 2002), pp. 1316-1326. by E. Pellegrini, M. J. Field posted to gb qmmm by onufriev on 2008-11-02 00:02:48 as along with 1 person pavanghatty
	The implementation of a fast and accurate QM/MM potential method in Amber [My Copy] Journal of Computational Chemistry, Vol. 29, No. 7. (2008), pp. 1019-1031. by Ross C. Walker, Michael F. Crowley, David A. Case posted to gb qmmm by onufriev on 2008-11-01 23:50:15 as along with 2 people RamuAnandakrishnan softsimu
	A hidden Markov model with molecular mechanics energy-scoring function for transmembrane helix prediction [My Copy] Computational Biology and Chemistry, Vol. 28, No. 4. (October 2004), pp. 265-274. by W. Zheng, V. Spassov, L. Yan, P. Flook, S. Szalma posted to gb gb_membrane by onufriev on 2008-10-31 22:51:31 as
	Evolution's cauldron: Duplication, deletion, and rearrangement in the mouse and human genomes [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 100, No. 20. (30 September 2003), pp. 11484-11489. by W. James Kent, Robert Baertsch, Angie Hinrichs, Webb Miller, David Haussler posted to gb by polivares on 2008-10-28 15:39:17 as along with 11 people and 2 groups gdb daveGerrard ilyashl hrogers semrich bryankr pcahan1 djkt gjuggler nuin Auger BergmanLab Dead 60's
	Modification of the Generalized Born Model Suitable for Macromolecules [My Copy] The Journal of Physical Chemistry B, Vol. 104, No. 15. (1 April 2000), pp. 3712-3720. by Alexey Onufriev, Donald Bashford, David A. Case posted to gb implicit_solvent by RamuAnandakrishnan on 2008-10-22 21:48:32 as along with 1 person ckmyo
	Implicit Solvent Simulations of DNA and DNA-Protein Complexes: Agreement with Explicit Solvent vs Experiment [My Copy] J. Phys. Chem. B, Vol. 110, No. 34. (31 August 2006), pp. 17240-17251. by J. Chocholousova, M. Feig posted to dna-ab-md gb md by Elena_Zubova on 2008-10-12 08:58:21 as along with 1 person dfgreen
	GBr6: A Parameterization-Free, Accurate, Analytical Generalized Born Method [My Copy] J. Phys. Chem. B, Vol. 111, No. 11. (22 March 2007), pp. 3055-3061. by H. Tjong, H. X. Zhou posted to gb by onufriev on 2008-10-09 19:10:17 as along with 1 person aphou
	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 gb by onufriev on 2008-10-09 18:45:43 as along with 6 people and 1 group sobolevnrm RamuAnandakrishnan middledomain sunhwan dmobley GermanErlenkamp baker-group
	Generalized born model with a simple smoothing function [My Copy] Journal of Computational Chemistry, Vol. 24, No. 14. (15 November 2003), pp. 1691-1702. by Wonpil Im, Michael S. Lee, Charles L. Brooks posted to gb by onufriev on 2008-10-09 17:58:03 as along with 3 people ckmyo stephenbond dfgreen
	Mass, Cadre or Franchise Parties? Assessing Scotlands Local Party Organizations [My Copy] Journal of Elections, Public Opinion & Parties, Vol. 18, No. 1. (2008), pp. 27-51. by Alistair Clark posted to gb parties by profgellner on 2008-10-09 17:01:59 as
	The Conservative Party and the Centre Ground of British Politics [My Copy] Journal of Elections, Public Opinion & Parties, Vol. 18, No. 2. (2008), pp. 179-199. by Thomas Quinn posted to gb parties by profgellner on 2008-10-09 17:00:10 as
	Implicit solvation based on generalized Born theory in different dielectric environments. [My Copy] The Journal of chemical physics, Vol. 120, No. 2. (8 January 2004), pp. 903-911. by M. Feig, W. Im, C. L. Brooks posted to gb gb_membrane by onufriev on 2008-10-07 21:51:55 as
	An implicit membrane generalized born theory for the study of structure, stability, and interactions of membrane proteins. [My Copy] Biophysical journal, Vol. 85, No. 5. (November 2003), pp. 2900-2918. by W. Im, M. Feig, C. L. Brooks posted to gb gb_membrane by onufriev on 2008-10-07 21:43:25 as along with 2 people flbarroso dimka
	Molecular dynamics simulations of large integral membrane proteins with an implicit membrane model. [My Copy] J Phys Chem B Condens Matter Mater Surf Interfaces Biophys, Vol. 110, No. 1. (12 January 2006), pp. 548-556. by S. Tanizaki, M. Feig posted to gb gb_membrane by onufriev on 2008-10-07 21:38:07 as along with 2 people and 1 group dimka xdeupi LabCompMed
	A generalized Born formalism for heterogeneous dielectric environments: application to the implicit modeling of biological membranes. [My Copy] The Journal of chemical physics, Vol. 122, No. 12. (22 March 2005) by S. Tanizaki, M. Feig posted to gb gb_membrane by onufriev on 2008-10-07 21:29:38 as
	Introducing an Implicit Membrane in Generalized Born/Solvent Accessibility Continuum Solvent Models [My Copy] J. Phys. Chem. B, Vol. 106, No. 34. (29 August 2002), pp. 8726-8738. by V. Z. Spassov, L. Yan, S. Szalma posted to gb gb_membrane by onufriev on 2008-10-07 19:57:27 as
	Ethnic competition and the logic of party system transformation [My Copy] European Journal of Political Research, Vol. 47, No. 6. (October 2008), pp. 766-793. by J. O. H. N. Coakley posted to gb parties by profgellner on 2008-10-03 10:37:50 as
	From Euro-enthusiasm to Euro-scepticism? A Re-evaluation of Minority Nationalist Party Attitudes Towards European Integration [My Copy] Regional & Federal Studies, Vol. 18, No. 5. (2008), pp. 557-581. by Anwen Elias posted to e gb parties by profgellner on 2008-10-03 10:10:22 as
	The Gaussian Generalized Born model: application to small molecules [My Copy] Phys. Chem. Chem. Phys., Vol. 9, No. 35. (2007), pp. 4913-4922. by J. A. Grant, B. T. Pickup, M. J. Sykes, C. A. Kitchen, A. Nicholls posted to gb by onufriev on 2008-10-01 18:35:20 as
	(Re)connecting Politics? Parliament, the Public and the Internet [My Copy] Parliamentary Affairs, Vol. 59, No. 1. (January 2006), pp. 24-42. by Lusoli, Wainer, Ward, Stephen, Gibson, Rachel posted to civil-society gb internet parliament public-opinion by profgellner on 2008-09-26 14:48:12 as along with 1 person spartakan
	Introduction: The Potential of the Internet Revisited [My Copy] Parliamentary Affairs, Vol. 59, No. 2. (April 2006), pp. 210-225. by Ward, Stephen, Vedel, Thierry posted to gb governance internet by profgellner on 2008-09-26 14:47:10 as
	The Idea of Electronic Democracy: Origins, Visions and Questions [My Copy] Parliamentary Affairs, Vol. 59, No. 2. (April 2006), pp. 226-235. by Vedel, Thierry posted to gb governance internet by profgellner on 2008-09-26 14:46:30 as

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