sobolevnrm's solvation [more than 800 articles] Export

Recent papers added to sobolevnrm's library classified by the tag solvation. You can also see everyone's solvation.

	Smooth potential energy surface for cavitation, dispersion, and repulsion free energies in polarizable continuum model [My Copy] Journal of Chemical Physics, Vol. 131, No. 20. (2009) by Y. Wang, H. Li posted to solvation nonpolar by sobolevnrm on 2009-11-30 12:48:27 as
	Predicting Ligand Binding Affinity with Alchemical Free Energy Methods in a Polar Model Binding Site [My Copy] Journal of Molecular Biology (Sep 2009) by S. Boyce, D. Mobley, G. Rocklin, A. Graves, K. Dill, B. Shoichet posted to solvation protein-ligand-interactions free-energy by sobolevnrm on 2009-11-23 13:45:01 as
	Structure and water dynamics of aqueous peptide solutions in the presence of co-solvents [My Copy] Physical Chemistry and Chemical Physics (2010) by Cecile Malardier-Jugroot, D. T. Bowron, A. K. Soper, M. E. Johnson, T. Head-Gordon posted to solvation by sobolevnrm on 2009-11-23 13:45:01 as
	Effects of co-solvents on peptide hydration water structure and dynamics [My Copy] Physical Chemistry Chemical Physics by M. E. Johnson, Cecile Malardier-Jugroot, Teresa Head-Gordon posted to solvation scattering by sobolevnrm on 2009-11-23 13:45:00 as
	Hierarchical molecular interfaces and solvation electrostatics [My Copy] 2009 SIAM/ACM Joint Conference on Geometric and Physical Modeling (2009), pp. 283-288. by C. Bajaj, Shun Chuan Albert Chen, G. Xu, Q. Zhang, W. Zhao posted to solvation multiscale geometry electrostatics by sobolevnrm on 2009-11-16 13:09:29 as
	Quantitative prediction of protein-protein binding affinity with a potential of mean force considering volume correction [My Copy] Protein Science by Yu Su, Ao Zhou, Xuefeng Xia, Wen Li, Zhirong Sun posted to solvation protein-protein-interactions protein-ligand-interactions by sobolevnrm on 2009-11-16 13:09:19 as
	Poisson-Boltzmann model in a solvent of interacting Langevin dipoles [My Copy] EPL (Europhysics Letters), Vol. 88 (Oct 2009) by D. H. Mengistu, K. Bohinc, S. May posted to solvation electrostatics beyond-mean-field by sobolevnrm on 2009-11-16 13:09:19 as
	A first-order system least-squares finite element method for the Poisson-Boltzmann equation [My Copy] Journal of Computational Chemistry by Stephen D. Bond, J. H. Chaudhry, Eric C. Cyr, Luke N. Olson posted to solvation mathematics finite-element electrostatics by sobolevnrm on 2009-11-12 14:10:16 as
	Titration_DB: Storage and analysis of NMR-monitored protein pH titration curves [My Copy] Proteins by Damien Farrell, Emanuel S. Miranda, Helen Webb, et al.Nikolaj Georgi, Peter B. Crowley, Lawrence P. McIntosh, Jens E. Nielsen posted to solvation pka electrostatics database by sobolevnrm on 2009-11-09 23:13:46 as
	An empirical potential based quasicontinuum theory for structural prediction of water [My Copy] Journal of Chemical Physics, Vol. 131, No. 18. (2009) by A. V. Raghunathan, N. R. Aluru posted to solvation multiscale by sobolevnrm on 2009-11-09 23:13:46 as
	Predicting pKa [My Copy] J. Chem. Inf. Model., Vol. 49, No. 9. (Sep 2009), pp. 2013-2033. by Adam C. Lee, Gordon M. Crippen posted to solvation pka electrostatics by sobolevnrm on 2009-11-06 12:56:28 as along with 1 person anuragsethi
	Buffers May Adversely Affect Model Lipid Membranes: A Cautionary Tale [My Copy] Biochemistry by Teresa P. Salvador, Oscar Ces, Richard H. Templer, Annela M. Seddon posted to solvation ligand-membrane-interactions biomembranes by sobolevnrm on 2009-11-06 12:56:27 as
	Study on the Correlation between Lateral Diffusion Effect and Effective Charge in Neutral Liposomes [My Copy] Langmuir by Elisa G. Cortés, de Dios Solier, Joan Estelrich, Roque H. Álvarez posted to solvation electrostatics diffusion biomembranes by sobolevnrm on 2009-11-04 19:05:45 as
	Mitochondrial Membranes with Mono- and Divalent Salt: Changes Induced by Salt Ions on Structure and Dynamics [My Copy] Journal of Physical Chemistry B by Sanja Pöyry, Tomasz Róg, Mikko Karttunen, Ilpo Vattulainen posted to solvation electrostatics biomembranes by sobolevnrm on 2009-11-04 19:05:45 as
	Why Direct or Reversed Hofmeister Series? Interplay of Hydration, Non-electrostatic Potentials, and Ion Size [My Copy] Langmuir by D. F. Parsons, M. Boström, T. J. Maceina, A. Salis, B. W. Ninham posted to solvation interfaces electrostatics by sobolevnrm on 2009-11-04 19:05:45 as
	Ion-specific thermodynamics of multicomponent electrolytes: A hybrid HNC/MD approach [My Copy] The Journal of Chemical Physics, Vol. 131, No. 15. (Jan 2009) by Lubov S. Vrbka, Mikael Lund, Immanuel Kalcher, Joachim Dzubiella, Roland R. Netz, Werner Kunz posted to statistical-mechanics solvation integral-equation electrostatics beyond-mean-field by sobolevnrm on 2009-11-02 12:47:50 as
	“Reverse-Schur” Approach to Optimization with Linear PDE Constraints: Application to Biomolecule Analysis and Design [My Copy] Journal of Chemical Theory and Computation (2009) by Jaydeep P. Bardhan, Michael D. Altman, B. Tidor, Jacob K. White posted to solvation optimization mathematics electrostatics drug-design by sobolevnrm on 2009-11-02 12:47:50 as
	Correction to the Clausius--Mosotti equation: The dielectric constant of nonpolar fluids from Monte Carlo simulations [My Copy] The Journal of Chemical Physics, Vol. 131, No. 16. (Jan 2009) by Mónika Valiskó, DezsH O. Boda posted to statistical-mechanics solvation electrostatics by sobolevnrm on 2009-11-02 12:47:50 as
	Protein contents in biological membranes can explain abnormal solvation of charged and polar residues [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 106, No. 37. (Sep 2009), pp. 15684-9. by Anna C. V. Johansson, Erik Lindahl posted to solvation electrostatics biomembranes by sobolevnrm on 2009-11-02 12:47:50 as
	On Finite-Size Corrections to the Free Energy of Ionic Hydration [My Copy] Journal of Physical Chemistry B, Vol. 101, No. 29. (1997), pp. 5622-5623. by Francisco Figueirido, Gabriela S. Del Buono, Ronald M. Levy posted to solvation molecular-simulation free-energy electrostatics by sobolevnrm on 2009-11-02 12:47:50 as
	Water in the Half Shell: Structure of Water, Focusing on Angular Structure and Solvation [My Copy] Acc Chem Res (Oct 2009) by K. Sharp, J. Vanderkooi posted to thermodynamics solvation review by sobolevnrm on 2009-11-02 12:47:49 as
	Free Energy of Ionic Hydration [My Copy] Journal of Physical Chemistry, Vol. 100, No. 4. (1996), pp. 1206-1215. by Gerhard Hummer, Lawrence R. Pratt, Angel E. Garc'ia posted to solvation free-energy electrostatics by sobolevnrm on 2009-11-02 12:47:49 as
	Nonlinear dielectric effect of dipolar fluids [My Copy] The Journal of Chemical Physics, Vol. 131, No. 15. (Jan 2009) by I. Szalai, S. Nagy, S. Dietrich posted to statistical-mechanics solvation electrotsatics by sobolevnrm on 2009-11-02 12:47:49 as
	Entropic trends in aqueous solutions of the common functional groups [My Copy] Faraday Discuss. (Jan 2010) by Sheeba J. Irudayam, Richard D. Plumb, Richard H. Henchman posted to solvation nonpolar molecular-simulation free-energy electrostatics by sobolevnrm on 2009-11-02 12:47:49 as
	Beyond standard Poisson-Boltzmann theory: ion-specific interactions in aqueous solutions [My Copy] J Phys-Condens Mat, Vol. 21, No. 42. (Jan 2009) by Dan B. Yaakov, David Andelman, Daniel Harries, Rudi Podgornik posted to water statistical-mechanics solvation soft-matter recent-progress organic-solvents ionizable-groups interfaces gibbs-energies electrostatics electric-double-layer double-layer-interactions amphoteric-surfaces by sobolevnrm on 2009-11-02 12:47:49 as
	Challenges in pKa predictions for proteins: the case of Asp213 in human proteinase 3 [My Copy] The journal of physical chemistry A, Vol. 113, No. 43. (Oct 2009), pp. 11783-92. by Eric Hajjar, Annick Dejaegere, Nathalie Reuter posted to solvation pka electrostatics by sobolevnrm on 2009-10-31 21:32:14 as
	Cation specific binding with protein surface charges [My Copy] Proc Natl Acad Sci USA, Vol. 106, No. 32. (Aug 2009), pp. 13296-300. by Berk Hess, Nico F. A. van der Vegt posted to thermodynamics static-electricity solvents solvation solutions proteins protein-binding electrostatics electrolytes cations alkalies acetates by sobolevnrm on 2009-10-31 21:00:31 as
	Counterion atmosphere and hydration patterns near a nucleosome core particle [My Copy] J Am Chem Soc, Vol. 131, No. 41. (Oct 2009), pp. 15005-13. by Christopher K. Materese, Alexey Savelyev, Garegin A. Papoian posted to solvation nucleic-acids electrostatics by sobolevnrm on 2009-10-31 21:00:31 as
	Prediction of the water content in protein binding sites [My Copy] The journal of physical chemistry B, Vol. 113, No. 40. (Oct 2009), pp. 13337-46. by Julien Michel, Julian T. Rives, William L. Jorgensen posted to solvation software molecular-simulation by sobolevnrm on 2009-10-31 21:00:31 as
	How hydrophobic hydration responds to solute size and attractions: Theory and simulations [My Copy] J. Chem. Phys., Vol. 131, No. 11. (Sep 2009) by Manoj V. Athawale, Sumanth N. Jamadagni, Shekhar Garde posted to solvation nonpolar by sobolevnrm on 2009-10-31 21:00:31 as
	Continuum theory of lipid bilayer electrostatics [My Copy] Eur. Phys. J. E (Sep 2009) by R. Gerami, R. Bruinsma posted to solvation review electrostatics biomembranes by sobolevnrm on 2009-10-31 21:00:31 as
	Water permeation through stratum corneum lipid bilayers from atomistic simulations [My Copy] Soft Matter (2009) by C. Das, Peter D. Olmsted, Massimo G. Noro posted to solvation file-import-09-10-31 biomembranes by sobolevnrm on 2009-10-31 19:41:05 as
	Three-dimensional “Mercedes-Benz” model for water [My Copy] The Journal of Chemical Physics, Vol. 131, No. 5. (2009), 054505. by C. Dias, T. Nissila, M. Grant, M. Karttunen posted to solvation by sobolevnrm on 2009-10-31 17:38:36 as
	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
	Characterizing hydrophobicity of interfaces by using cavity formation, solute binding, and water correlations [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 36. (8 September 2009), pp. 15119-15124. by Rahul Godawat, Sumanth N. Jamadagni, Shekhar Garde posted to solvation nonpolar by sobolevnrm on 2009-10-31 00:58:33 as along with 1 person softsimu
	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
	Hydrophobic Interactions of Hexane in Nanosized Water Droplets [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 36. (10 September 2009), pp. 12337-12342. by Dirar Homouz, Byron Hoffman, Margaret S. Cheung posted to solvation nonpolar by sobolevnrm on 2009-10-27 11:40:02 as
	Entropic trends in aqueous solutions of the common functional groups [My Copy] Faraday Discuss. (2010) by Sheeba J. Irudayam, Richard D. Plumb, Richard H. Henchman posted to statistical_mechanics solvation by sobolevnrm on 2009-10-24 22:41:48 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
	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
	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
	Three-dimensional “Mercedes-Benz” model for water [My Copy] The Journal of Chemical Physics, Vol. 131, No. 5. (2009), 054505. by Cristiano L. Dias, Tapio A. Nissila, Martin Grant, Mikko Karttunen posted to solvation by sobolevnrm on 2009-10-14 12:27:59 as along with 2 people softsimu dlimmer
	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
	Entropy crossover from molecular to macroscopic cavity hydration [My Copy] Chemical Physics Letters, Vol. 477, No. 1-3. (28 July 2009), pp. 109-111. by Henry S. Ashbaugh posted to solvation nonpolar by sobolevnrm on 2009-10-01 13:14:10 as
	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
	Dimerization Thermodynamics of Large Hydrophobic Plates: A Scaled Particle Theory Study [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 32. (13 August 2009), pp. 11232-11239. by Giuseppe Graziano posted to solvation nonpolar by sobolevnrm on 2009-09-01 12:44:03 as
	The multiscale coarse-graining method. III. A test of pairwise additivity of the coarse-grained potential and of new basis functions for the variational calculation [My Copy] The Journal of Chemical Physics, Vol. 131, No. 3. (2009), 034102. by Avisek Das, Hans C. Andersen posted to statistical_mechanics solvation nonpolar multiscale by sobolevnrm on 2009-08-19 12:55:48 as along with 3 people tomweingarten dlimmer agrossfield
	How to obtain statistically converged MM/GBSA results [My Copy] Journal of Computational Chemistry, Vol. 9999, No. 9999. (2009), NA. by Samuel Genheden, Ulf Ryde posted to solvation molecular_simulation free_energy electrostatics by sobolevnrm on 2009-08-19 12:54:22 as along with 3 people and 1 group pmung barry RamuAnandakrishnan McCammon

Note: You may cite this page as: http://www.citeulike.org/user/sobolevnrm/tag/solvation

Result page: 1 2 3 4 5 6 7 8 9 10 Next

electrostatics	2009
solvation	1596
biomembranes	1498
statistical_mechanics	672
mathematics	621
bioinformatics	606
diffusion	526
molecular_simulation	509
molecular_dynamics	509
nucleic_acids	476
multiscale	409
quasiharmonic_models	336
structure	322
nanotech	287
allostery	268
review	203
protein_folding	202
beyond_mean_field	200
protein-protein_interactions	186
systems_biology	183
software	176
kinetics	168
acetylcholinesterase	167
protein-ligand_interactions	166
misc	151
biological_systems	150
experimental_methodology	147
thrombin	143
correlated_mutations	125
neuromuscular_junctions	121
pka	118
protein-nucleic_acid_interactions	116
sterols	111
drug_design	106
outer_hair_cells	102
metalloregulation	96
database	95
structure_prediction	91
cellular_mechanics	91
imaging	86
ontology	84
ccne	84
protein-membrane_interactions	83
quantum_mechanics	82
nonpolar	80
nerve_agents	78
nitric_oxide	74
career	71
visualization	69
emulsions	67
interfaces	55
ligand-membrane_interactions	54
cancer	50
nmr	50
protein_engineering	47
mechanics	44
integral_equation	41
free_energy	39
teaching	39
clustering	39
ion_channels	37
enhanced_sampling	34
ultrasound	33
perfluorocarbons	31
statistics	26
sccne	24
programming	22
pgdh	21
informatics	21
helicase	20
graph_theory	19
flexoelectric	18
fluid_mechanics	17
ribosome	17
quasiharmonic-models	15
molecular-simulation	15
drug_delivery	15
toxicity	13
statistical-mechanics	13
gating	13
geometry	12
apbs	11
nanotechnology	10
funding	10
pdb2pqr	9
molecular-dynamics	8
beyond-mean-field	8
energy_landscapes	8
nikr	8
cytoskeleton	7
electrochemistry	6
protein-ligand-interactions	5
free-energy	5
protein-protein-interactions	5
file-import-09-10-31	5
cholesterol	4
single_molecule	4
docking	4
graph-theory	4
drug-design	4
protein-folding	4
nitric-oxide	4
biomembrane	4
scattering	3
thermodynamics	3
optimization	3
integral-equation	3
animals	3
nucleic-acids	3
finite_element	3
ligand-membrane-interactions	3
humans	3
nanoparticles	2
models-molecular	2
quantum-mechanics	2
energy-landscape	2
virus	2
finite-differences	2
electric-double-layers	2
poisson-boltzmann-theory	2
biodistribution	2
fatty-acids-unsaturated	2
systems-biology	2
ethics	2
oxysterols	2
neuroscience	2
hydrodynamics	2
protein-membrane-interactions	2
generalized_born	2
monte-carlo-simulations	2
computer-simulation	2
proteins	2
computational_geometry	2
boundary_element	2
magnetism	2
red-blood-cell	2
models-chemical	2
protein-binding	1
integrin-alphavbeta3	1
chemical-physics	1
activity-coefficients	1
microtubule	1
drug-delivery-systems	1
recent-progress	1
anisotropy	1
electrolyte-solutions	1
dynamics-simulation	1
thermodynamics-kinetic-theory	1
rab-gtp-binding-proteins	1
density-functional-theory	1
interface	1
biomedical-research	1
air-water-interface	1
electrolytes	1
alkalies	1
multivalent-ions	1
arthritis-experimental	1
information-dissemination	1
genomics	1
multigrid	1
cytokine-receptor	1
oppositely-charged	1
finite-elements	1
inflammation	1
magnetic-resonance-spectroscopy	1
guidelines-as-topic	1
escherichia-coli	1
research-design	1
rab-gtpase	1
theoretical-physics	1
lipid-bilayers	1
correlated-mutations	1
water	1
periodicals-as-topic	1
mentors	1
sodium-chloride	1
physical-chemistry	1
organelle-interaction	1
nuclear-magnetic-resonance-biomolecular	1
ionic-fluids	1
conserved-sequence	1
molecular-dynamics-simulations	1
protein-engineering	1
elasticity	1
emotions	1
time-factors	1
dielectric-properties	1
protein-transport	1
amino-acid-sequence	1
solutions	1
mathematical-physics	1
text-mining	1
potentiometric-titration	1
energy-profile	1
electrolyte	1
membrane-fusion	1
chains	1
cations	1
amphoteric-surfaces	1
ligand-binding	1
adenosine-monophosphate	1
conformational-flexibility	1
career-choice	1
neovascularization-pathologic	1
algorithms	1
cyclohexanes	1
efficient-generation	1
protein-conformation	1
web	1
fluorescence_quenching	1
protein-structure-tertiary	1
effective-interaction-potentials	1
earth-metal-ions	1
membrane-microdomains	1
soft-matter	1
motility	1
entropy	1
lipids	1
computational-biology	1
salicylate	1
acetates	1
electrotsatics	1
molecular-conformation	1
double-layer-interactions	1
parameterization	1
organelles	1
finite-element	1
enzyme-stability	1
group-theory	1
sesquiterpenes	1
metabolomics	1
crystallography-x-ray	1
evolution-molecular	1
fatty-acids	1
configurational-entropy	1
aqueous-salt-solutions	1
colloid-complex	1
force-field	1
counterions	1
rats	1
treatment-outcome	1
public-policy	1
choice-behavior	1
enhanced-sampling	1
red_blood_cell	1
mice	1
colloids	1
am1-bcc-model	1
inversion	1
organelle-size	1
solvents	1
systems	1
peer-review-research	1
phosphatidylcholines	1
amino-acids	1
policy	1
counterion-condensation	1
protein-allostery	1
protein-nucleic-acid-interactions	1
condensation	1
serine-endopeptidases	1
mutual-information	1
flexoelectricity	1
annealed-polyelectrolytes	1
atomic-nuclear-physics	1
ionizable-groups	1
electric-double-layer	1
education-graduate	1
phase-equilibria	1
parallel-plates	1
organic-solvents	1
signal-transduction	1
text_mining	1
lipid-metabolism	1
caveolae	1
static-electricity	1
gibbs-energies	1
model	1
lipid-droplet	1
databases-protein	1
integral_equations	1
structure-prediction	1
protein-design	1
adipocytes	1

sobolevnrm's solvation [more than 800 articles] Export

sobolevnrm's tags