dfgreen's generalized-born [13 articles] Export

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	Effective atom volumes for implicit solvent models: comparison between Voronoi volumes and minimum fluctuation volumes. [My Copy] J Comput Chem, Vol. 22, No. 15. (30 November 2001), pp. 1857-1879. by Michael Schaefer, Christian Bartels, Fabrice Leclerc, Martin Karplus posted to electrostatics generalized-born by dfgreen on 2009-01-08 22:54:23 as along with 1 person baaden
	A Comprehensive Analytical Treatment of Continuum Electrostatics [My Copy] The Journal of Physical Chemistry, Vol. 100, No. 5. (1 January 1996), pp. 1578-1599. by Michael Schaefer, Martin Karplus posted to electrostatics generalized-born by dfgreen on 2009-01-08 22:53:34 as along with 1 person boris_aguilar
	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 electrostatics generalized-born solvation by dfgreen on 2009-01-08 21:58:20 as along with 3 people ckmyo stephenbond onufriev
	Balancing Solvation and Intramolecular Interactions: Toward a Consistent Generalized Born Force Field [My Copy] Journal of the American Chemical Society, Vol. 128, No. 11. (1 March 2006), pp. 3728-3736. by Jianhan Chen, Wonpil Im, Charles L. Brooks posted to force-fields generalized-born interactions solvation by dfgreen on 2009-01-08 21:57:21 as along with 5 people ckmyo oteri yxue onufriev bilab
	Solvation free energies calculated using the GB/SA model: Sensitivity of results on charge sets, protocols, and force fields [My Copy] Journal of Computational Chemistry, Vol. 19, No. 7. (1998), pp. 769-780. by Rami M. Reddy, Mark D. Erion, Atul Agarwal, Vellarkad N. Viswanadhan, Quentin D. Mcdonald, Clark W. Still posted to charges electrostatics force-fields generalized-born solvation by dfgreen on 2009-01-08 20:50:07 as along with 1 person mijam
	Semianalytical treatment of solvation for molecular mechanics and dynamics [My Copy] Journal of the American Chemical Society, Vol. 112, No. 16. (1 August 1990), pp. 6127-6129. by W. Clark Still, Anna Tempczyk, Ronald C. Hawley, Thomas Hendrickson posted to electrostatics generalized-born solvation by dfgreen on 2009-01-08 20:48:38 as along with 6 people chemrahul82 blackgen Lombardo_7 GermanErlenkamp dmitry_s_yershov stephenbond
	The GB/SA Continuum Model for Solvation. A Fast Analytical Method for the Calculation of Approximate Born Radii [My Copy] The Journal of Physical Chemistry A, Vol. 101, No. 16. (1 April 1997), pp. 3005-3014. by Di Qiu, Peter S. Shenkin, Frank P. Hollinger, W. Clark Still posted to electrostatics generalized-born solvation by dfgreen on 2009-01-08 20:46:08 as along with 4 people chemrahul82 GermanErlenkamp mijam jwagoner
	AGBNP: an analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modeling. [My Copy] Journal of computational chemistry, Vol. 25, No. 4. (March 2004), pp. 479-499. by E. Gallicchio, R. M. Levy posted to continuum-vdw generalized-born solvation by dfgreen on 2009-01-08 20:36:29 as along with 6 people flbarroso melo_mcr aphou RamuAnandakrishnan jwagoner onufriev
	Estimation of Absolute Free Energies of Hydration Using Continuum Methods: Accuracy of Partial Charge Models and Optimization of Nonpolar Contributions [My Copy] Journal of Chemical Theory and Computation, Vol. 2, No. 1. (1 January 2006), pp. 128-139. by Robert C. Rizzo, Tiba Aynechi, David A. Case, Irwin D. Kuntz posted to charges electrostatics generalized-born hydrophobic solvation by dfgreen on 2009-01-08 20:18:55 as
	Parametrization of a Generalized Born/Solvent-Accessible Surface Area Model and Applications to the Simulation of Protein Dynamics [My Copy] The Journal of Physical Chemistry B, Vol. 106, No. 18. (1 May 2002), pp. 4844-4853. by Jiang Zhu, Yunyu Shi, Haiyan Liu posted to dynamics generalized-born molecular by dfgreen on 2009-01-08 02:02:33 as
	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 dynamics generalized-born molecular by dfgreen on 2009-01-08 02:01:09 as along with 1 person Elena_Zubova
	Improving Docking Accuracy through Molecular Mechanics Generalized Born Optimization and Scoring [My Copy] Journal of Chemical Theory and Computation, Vol. 3, No. 3. (1 May 2007), pp. 1106-1119. by Matthew R. Lee, Yaxiong Sun posted to docking generalized-born ligand by dfgreen on 2009-01-08 01:59:47 as
	Binding of antifusion peptides with HIVgp41 from molecular dynamics simulations: quantitative correlation with experiment. [My Copy] Proteins, Vol. 67, No. 3. (15 May 2007), pp. 630-642. by B. Strockbine, R. C. Rizzo posted to binding dynamics generalized-born ligand molecular by dfgreen on 2009-01-08 01:56:17 as

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file-import-09-01-07b	274
electrostatics	96
protein	90
design	63
dynamics	47
molecular	47
ligand	46
solvation	44
binding	39
packing	19
quantum-mechanics	19
charges	18
optimization	18
free-energy	17
interactions	17
pka	17
review	17
perturbation	16
ab-initio	15
force-fields	15
generalized-born	13
hydrophobic	13
engineering	11
protein-protein	11
software	11
specificity	9
stability	9
poisson-boltzmann	7
structure	7
biopharmaceuticals	6
carbohydrate	6
conformational	6
docking	5
enzyme	5
biology	4
catalysis	4
dna	4
homology	4
preferences	4
sequence	4
systems	4
entropy	3
kinetics	3
linear-programming	3
quadratic-programming	3
semi-empirical	3
continuum-vdw	2
monte-carlo	2
protonation	2
rna	2
structure-prediction	2
visualization	2
water	2
action-at-a-distance	1
allostery	1
analysis	1
atp	1
brownian	1
calmodulin	1
dissociation	1
effect	1
electrochemistry	1
folding	1
g-protein	1
harmonics	1
hierarchicies	1
mean-field	1
membrane-association	1
phylogeny	1
proteomics	1
resistance	1
rna-protein	1
senstivity	1
text	1
vibrational	1

dfgreen's generalized-born [13 articles] Export

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