onufriev's electrostatics [20 articles] Export

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	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
	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
	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 implicit_solvation electrostatics beyond_pb by onufriev on 2009-07-04 01:14:30 as along with 3 people and 1 group Elena_Zubova agrossfield sobolevnrm baker-group
	Electrostatic models in the theory of solutions [My Copy] J. Chem. Soc., Faraday Trans. 2, Vol. 72 (1976), pp. 361-371. by Yu Kharkats, A. A. Kornyshev, M. A. Vorotyntsev posted to electrostatics implicit_solvation by onufriev on 2009-06-16 01:16:46 as
	The electric multipole expansion for the magic cube [My Copy] posted to electrostatics pedagogical by onufriev on 2009-02-18 21:34:18 as
	Charge optimization leads to favorable electrostatic binding free energy [My Copy] Physical Review E, Vol. 59, No. 5. (1 May 1999), 5958. by Erik Kangas, Bruce Tidor posted to electrostatics pka protein_ligand by onufriev on 2009-01-23 23:58:35 as along with 1 person boris_aguilar
	Protein Structural Change Upon Ligand Binding: Linear Response Theory [My Copy] Physical Review Letters, Vol. 94, No. 7. (2005) by Mitsunori Ikeguchi, Jiro Ueno, Miwa Sato, Akinori Kidera posted to electrostatics pka protein_ligand by onufriev on 2009-01-23 23:57:13 as along with 3 people boris_aguilar apaydin aqeel
	ISIM: A Program for Grand Canonical Monte Carlo Simulations of the Ionic Environment of Biomolecules [My Copy] Molecular Simulation, Vol. 30, No. 1. (2004), pp. 45-61. by Andreas Vitalis, Nathan A. Baker, Andrew J. Mccammon posted to dna_ions electrostatics monte_carlo by onufriev on 2009-01-15 01:20:24 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
	Reliable treatment of electrostatics in combined QM/MM simulation of macromolecules [My Copy] The Journal of Chemical Physics, Vol. 123, No. 1. (2005) by Patricia Schaefer, Demian Riccardi, Qiang Cui posted to electrostatics multiscale qmmm by onufriev on 2008-11-12 04:42:23 as along with 1 person and 1 group sobolevnrm baker-group
	Determination of electrostatic interaction energies and protonation state populations in enzyme active sites [My Copy] Journal of Molecular Biology, Vol. In Press, Accepted Manuscript by Chresten R. Sondergaard, Lawrence P. Mcintosh, Gianluca Pollastri, Jens E. Nielsen posted to electrostatics pka by onufriev on 2008-10-15 15:28:07 as along with 3 people and 2 groups barry sobolevnrm skoddet structural_bioinformatics baker-group
	Molecular dynamics simulations of biomolecules: long-range electrostatic effects. [My Copy] Annu Rev Biophys Biomol Struct, Vol. 28 (1999), pp. 155-179. by C. Sagui, T. A. Darden posted to electrostatics molecular_dynamics by onufriev on 2008-09-14 20:54:08 as along with 8 people Scis0000002 babakap lillekatt ttjoseph dgront RamuAnandakrishnan AndreaColetta r2s2
	Solvation of complex molecules in a polar liquid: An integral equation theory [My Copy] The Journal of Chemical Physics, Vol. 104, No. 21. (1996), pp. 8678-8689. by Dmitrii Beglov, Benoît Roux posted to electrostatics implicit_solvation water_models by onufriev on 2008-09-14 03:57:25 as along with 2 people dmitry_s_yershov stephenbond
	Electrostatics and dynamics of proteins [My Copy] Reports of Progress in Physics, Vol. 66 (May 2003), pp. 737-787. by T. Simonson posted to electrostatics implicit_solvation molecular_dynamics by onufriev on 2008-08-02 01:38:42 as along with 3 people Lombardo_7 chiufanlee medic0747
	Deficiency of the Coulomb-field approximation in the generalized Born model: An improved formula for Born radii evaluation [My Copy] The Journal of Chemical Physics, Vol. 119, No. 9. (2003), pp. 4817-4826. by Tomasz Grycuk posted to electrostatics gb implicit_solvation by onufriev on 2007-12-09 23:21:35 as along with 1 person baaden
	Constructing irregular surfaces to enclose macromolecular complexes for mesoscale modeling using the discrete surface charge optimization (DISCO) algorithm [My Copy] Journal of Computational Chemistry, Vol. 24, No. 16. (2003), pp. 2063-2074. by Qing Zhang, Daniel A. Beard, Tamar Schlick posted to dna_electrostatics electrostatics implicit_solvation by onufriev on 2007-10-31 22:02:58 as
	Analytical Debye-Huckel model for electrostatic potentials around dissolved DNA. [My Copy] Biophys J, Vol. 73, No. 1. (July 1997), pp. 21-30. by K. Wagner, E. Keyes, T. W. Kephart, G. Edwards posted to dna_electrostatics electrostatics by onufriev on 2007-10-27 23:20:11 as along with 1 person Elena_Zubova
	Competition of hydrophobic and Coulombic interactions between nanosized solutes [My Copy] posted to electrostatics implicit_solvation water_models by onufriev on 2007-10-21 16:54:51 as
	A smooth permittivity function for Poisson-Boltzmann solvation methods [My Copy] Journal of Computational Chemistry, Vol. 22, No. 6. (2001), pp. 608-640. by J. Andrew Grant, Barry T. Pickup, Anthony Nicholls posted to molecular_dynamics electrostatics implicit_solvation pb by onufriev on 2007-10-18 17:42:24 as along with 4 people nickolay dmitry_s_yershov stephenbond cen4ik
	What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomolecules. [My Copy] J Comput Chem, Vol. 27, No. 1. (January 2006), pp. 72-89. by Z. Yu, M. P. Jacobson, R. A. Friesner posted to electrostatics gb implicit_solvation by onufriev on 2007-10-12 22:42:43 as along with 3 people and 1 group BragilMassoud qzhang choonpeng TSRI_MGL

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implicit_solvation	60
gb	49
molecular_dynamics	36
nucleosome	36
pb	25
protein_folding	24
pka	22
electrostatics	20
dna_bending	19
histone_acetylation	19
dna	18
dna_electrostatics	15
higher_order_chromatin	15
protein_ligand	15
nucleosome_stability	13
dna_ions	12
nucleosome_assembly	11
beyond_pb	8
ions	8
water_models	8
explicit_solvation	7
gb_membrane	7
myoglobin	7
protein_dynamics	7
protein_electrostatics	7
coarse-grain	6
dielectric_in_biopolymers	6
dna_ab	6
dna_nano	5
md_dna	5
pedagogical	5
polyamines	5
surface	5
dna_stacking	4
drug_design	4
multiscale	4
ph	4
phosphorylation	4
rnai	4
image_charge	3
molecular_geometry	3
qmmm	3
rna_sec_structure	3
water_in_biopolymers	3
dna_bend	2
dna_stretching	2
ewald	2
free_energy	2
physics_philosophy	2
br	1
charge_asymmetry	1
classical_mechanics	1
coarse_grain	1
dna_md	1
extremophile	1
hnox	1
monte_carlo	1
non_equilibrium_statmech	1
nucleosome_positioning	1
nucleus	1
performance	1
physics_fundamentals	1
protein_stability	1
time_scale	1
water_molecules	1

onufriev's electrostatics [20 articles] Export

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