Register | Log in | FAQ      [?] 
Recent | Recommended | Search | Authors | Tags | Export

Group: baker-group - with tag electrostatics [1000+ articles]

Recent papers posted by members of the baker-group group with tag electrostatics
  • A stringent test of the cavity concept in continuum dielectrics
    The Journal of Chemical Physics, Vol. 107, No. 19. (1997), pp. 7975-7978.
    by Arno Papazyan, Arieh Warshel
    posted to solvation electrostatics by sobolevnrm to the group baker-group on 2008-07-24 12:44:14 as read
  • Continuum and Dipole-Lattice Models of Solvation
    J. Phys. Chem. B, Vol. 101, No. 51. (18 December 1997), pp. 11254-11264.
    by A Papazyan, A Warshel
    posted to solvation electrostatics by sobolevnrm to the group baker-group on 2008-07-24 12:43:04 as read
  • Effect of Solvent Discreteness on Solvation
    J. Phys. Chem. B, Vol. 102, No. 27. (2 July 1998), pp. 5348-5357.
    by A Papazyan, A Warshel
    posted to statistical_mechanics solvation electrostatics by sobolevnrm to the group baker-group on 2008-07-24 12:41:40 as read
  • A meshless, spectrally accurate, integral equation solver for molecular surface electrostatics
    J. Emerg. Technol. Comput. Syst., Vol. 4, No. 2. (April 2008), pp. 1-30.
    by Shih-Hsien Kuo, Bruce Tidor, Jacob White
    posted to solvation software mathematics electrostatics by sobolevnrm to the group baker-group on 2008-07-24 11:45:11 as read
  • Harmonic averaging of smooth permittivity functions in finite-difference PoissonBoltzmann Electrostatics
    Theoretical Chemistry Accounts, Vol. 119, No. 5-6. (April 2008), pp. 421-427.
    by Kottmann, Stephen
    posted to electrostatics by sobolevnrm to the group baker-group on 2008-07-23 12:06:56 as read
  • Statistical mechanics of polar fluids in electric fields
    The Journal of Chemical Physics, Vol. 72, No. 3. (1980), pp. 1597-1613.
    by Ho JS Ye, G Stell
    posted to statistical_mechanics solvation electrostatics by sobolevnrm to the group baker-group on 2008-07-22 12:00:42 as read
  • Very fast prediction and rationalization of p<I>K</I><SUB><FONT SIZE='-1'>a</FONT></SUB> values for protein-ligand complexes
    Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2008), NA.
    by Delphine C Bas, David M Rogers, Jan H Jensen
    posted to solvation software pka electrostatics bioinformatics by sobolevnrm to the group baker-group on 2008-07-22 11:48:46 as read
  • Test of the Gouy-Chapman Theory for a Charged Lipid Membrane against Explicit-Solvent Molecular Dynamics Simulations
    Physical Review Letters, Vol. 101, No. 3. (2008)
    by Myunggi Yi, Hugh Nymeyer, Huan X Zhou
    posted to solvation electrostatics biomembranes by sobolevnrm to the group baker-group on 2008-07-21 21:02:32 as read
  • Theory of Dielectric Relaxation in Polar Liquids
    The Journal of Chemical Physics, Vol. 52, No. 12. (1970), pp. 6353-6363.
    by Tsu W Nee, Robert Zwanzig
    posted to statistical_mechanics solvation electrostatics diffusion by sobolevnrm to the group baker-group on 2008-07-17 22:39:18 as read
  • Electric Moments of Molecules in Liquids
    Journal of the American Chemical Society, Vol. 58, No. 8. (1936), pp. 1486-1493.
    by L Onsager
    posted to statistical_mechanics solvation electrostatics by sobolevnrm to the group baker-group on 2008-07-17 18:32:11 as read
  • The Geometry Behind Numerical Solvers of the Poisson-Boltzmann Equation
    Communications in Computational Physics, Vol. 3 (2008), pp. 1032-1050.
    by X Shi, P Koehl
    posted to electrostatics computational_geometry by sobolevnrm to the group baker-group on 2008-07-16 16:22:20 as read
  • Dipolar Poisson-Boltzmann Equation: Ions and Dipoles Close to Charge Interfaces
    Physical Review Letters, Vol. 99, No. 7. (2007)
    by Ariel Abrashkin, David Andelman, Henri Orland
    posted to statistical_mechanics electrostatics biomembranes by sobolevnrm to the group baker-group on 2008-07-16 16:04:48 as read
  • Poisson-Boltzmann Theory for Membranes with Mobile Charged Lipids and the pH-Dependent Interaction of a DNA Molecule with a Membrane
    Biophys. J., Vol. 82, No. 1. (1 January 2002), pp. 76-92.
    by Christian Fleck, Roland R Netz, Hans H von Grunberg
    posted to solvation pka nucleic_acids electrostatics biomembranes by sobolevnrm to the group baker-group on 2008-07-16 16:02:21 as read along with 1 person softsimu
  • Morphological transitions of vesicles induced by AC electric fields
    Biophys. J. (16 May 2008), biophysj.108.132548.
    by Said Aranda, Karin A Riske, Reinhard Lipowsky, Rumiana Dimova
    posted to electrostatics biomembranes by sobolevnrm to the group baker-group on 2008-07-11 12:24:07 as read along with 1 person paulschlesinger
  • Dielectric relaxation in proteins: the computational perspective.
    Photosynthesis research (29 April 2008)
    by Thomas Simonson
    posted to solvation quantum_mechanics electrostatics by sobolevnrm to the group baker-group on 2008-07-09 11:33:04 as read along with 1 person dimka
  • Assessing the performance of implicit solvation models at a nucleic acid surface
    Physical Chemistry Chemical Physics (in press)
    by F Dong, JA Wagoner, NA Baker
    posted to solvation nucleic_acids nonpolar electrostatics by sobolevnrm to the group baker-group on 2008-07-08 12:27:15 as read
  • An iterative boundary potential method for the infinite domain Poisson problem with interior Dirichlet boundaries
    Journal of Computational Physics, Vol. 227, No. 16. (10 August 2008), pp. 7917-7928.
    by GH Miller
    posted to mathematics electrostatics by sobolevnrm to the group baker-group on 2008-07-08 12:02:17 as read
  • Variable atomic radii for continuum-solvent electrostatics calculation
    The Journal of Chemical Physics, Vol. 129, No. 1. (2008)
    by Baojing Zhou, Manish Agarwal, Chung F Wong
    posted to solvation electrostatics by sobolevnrm to the group baker-group on 2008-07-07 11:52:16 as read
  • An Electrostatic Steering Mechanism of Cdc42 Recognition by Wiskott-Aldrich Syndrome Proteins
    Molecular Cell, Vol. 20, No. 2. (28 October 2005), pp. 313-324.
    by Lars Hemsath, Radovan Dvorsky, Dennis Fiegen, Marie-France Carlier, Mohammad R Ahmadian
    posted to protein-protein_interactions kinetics electrostatics diffusion by sobolevnrm to the group baker-group on 2008-07-01 02:55:17 as read along with 1 person mikaellund
  • Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method
    Journal of Computational Chemistry, Vol. 21, No. 2. (2000), pp. 132-146.
    by Araz Jakalian, Bruce L Bush, David B Jack, Christopher I Bayly
    posted to quantum_mechanics molecular_simulation molecular_dynamics electrostatics by sobolevnrm to the group baker-group on 2008-07-01 02:49:19 as read
  • Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation.
    J Comput Chem, Vol. 23, No. 16. (December 2002), pp. 1623-1641.
    by A Jakalian, DB Jack, CI Bayly
    posted to quantum_mechanics molecular_simulation molecular_dynamics electrostatics by sobolevnrm to the group baker-group on 2008-07-01 02:46:11 as read along with 2 people lillekatt patricia
  • On the fictitious-domain and interpolation formulations of the matched interface and boundary (MIB) method
    Journal of Computational Physics, Vol. 219, No. 1. (20 November 2006), pp. 228-246.
    by YC Zhou, GW Wei
    posted to mathematics electrostatics by sobolevnrm to the group baker-group on 2008-07-01 02:39:39 as read
  • High order matched interface and boundary method for elliptic equations with discontinuous coefficients and singular sources
    Journal of Computational Physics, Vol. 213, No. 1. (20 March 2006), pp. 1-30.
    by YC Zhou, Shan Zhao, Michael Feig, GW Wei
    posted to mathematics electrostatics by sobolevnrm to the group baker-group on 2008-07-01 02:37:16 as read
  • High-order FDTD methods via derivative matching for Maxwell's equations with material interfaces
    Journal of Computational Physics, Vol. 200, No. 1. (10 October 2004), pp. 60-103.
    by Shan Zhao, GW Wei
    posted to mathematics electrostatics by sobolevnrm to the group baker-group on 2008-07-01 02:33:13 as read
  • Matched interface and boundary (MIB) method for elliptic problems with sharp-edged interfaces
    Journal of Computational Physics, Vol. 224, No. 2. (10 June 2007), pp. 729-756.
    by Sining Yu, Yongcheng Zhou, GW Wei
    posted to solvation mathematics electrostatics by sobolevnrm to the group baker-group on 2008-07-01 02:31:14 as read
  • The minimal molecular surface
    (20 Oct 2006)
    by PW Bates, GW Wei, Shan Zhao
    posted to solvation mathematics electrostatics by sobolevnrm to the group baker-group on 2008-06-30 15:42:08 as read
  • A Continuum Model for Protein-Protein Interactions: Application to the Docking Problem
    Journal of Molecular Biology, Vol. 250, No. 2. (7 July 1995), pp. 258-275.
    by Richard M Jackson, Michael J Sternberg
    posted to solvation protein-protein_interactions electrostatics by sobolevnrm to the group baker-group on 2008-06-30 15:37:33 as read along with 1 person cjeans
  • DNA Binding and Bending by HMG Boxes: Energetic Determinants of Specificity
    Journal of Molecular Biology, Vol. 343, No. 2. (15 October 2004), pp. 371-393.
    by Anatoly I Dragan, Christopher M Read, Elena N Makeyeva, Ekaterina I Milgotina, Mair E Churchill, Colyn Crane-Robinson, Peter L Privalov
    posted to solvation protein-nucleic_acid_interactions electrostatics by sobolevnrm to the group baker-group on 2008-06-30 15:33:24 as read
  • Absorption Classification of Oral Drugs Based on Molecular Surface Properties
    J. Med. Chem., Vol. 46, No. 4. (13 February 2003), pp. 558-570.
    by CAS Bergstrom, M Strafford, L Lazorova, A Avdeef, K Luthman, P Artursson
    posted to solvation electrostatics drug_design bioinformatics by sobolevnrm to the group baker-group on 2008-06-30 15:29:07 as read
  • Cation-pi interactions in protein-protein interfaces
    Proteins: Structure, Function, and Bioinformatics, Vol. 59, No. 2. (2005), pp. 231-239.
    by Peter B Crowley, Adel Golovin
    posted to protein-protein_interactions electrostatics by sobolevnrm to the group baker-group on 2008-06-30 12:55:24 as read
  • Analytical molecular surface calculation
    Journal of Applied Crystallography, Vol. 16, No. 5. (Oct 1983), pp. 548-558.
    by ML Connolly
    posted to solvation mathematics electrostatics by sobolevnrm to the group baker-group on 2008-06-30 12:50:46 as read along with 1 person sithmein
  • Areas, Volumes, Packing, and Protein Structure
    Annual Review of Biophysics and Bioengineering, Vol. 6, No. 1. (1977), pp. 151-176.
    by FM Richards
    posted to structure solvation electrostatics by sobolevnrm to the group baker-group on 2008-06-30 12:39:51 as read
  • Calculation of the aqueous solvation free energy of the proton
    The Journal of Chemical Physics, Vol. 109, No. 12. (1998), pp. 4852-4863.
    by GJ Tawa, IA Topol, SK Burt, RA Caldwell, AA Rashin
    posted to solvation pka electrostatics by sobolevnrm to the group baker-group on 2008-06-30 12:27:13 as read
  • Alpha7 nicotinic acetylcholine receptor agonists: Prediction of their binding affinity through a molecular mechanics Poisson-Boltzmann surface area approach
    Journal of Computational Chemistry, Vol. 9999, No. 9999. (2008), NA.
    by Giovanni Grazioso, Andrea Cavalli, Marco De Amici, Maurizio Recanatini, Carlo De Micheli
    posted to solvation protein-ligand_interactions electrostatics apbs by sobolevnrm to the group baker-group on 2008-06-30 11:30:07 as read
  • Solvation Free Energies of Peptides: Comparison of Approximate Continuum Solvation Models with Accurate Solution of the Poisson-Boltzmann Equation
    J. Phys. Chem. B, Vol. 101, No. 7. (13 February 1997), pp. 1190-1197.
    by SR Edinger, C Cortis, PS Shenkin, RA Friesner
    posted to solvation electrostatics by sobolevnrm to the group baker-group on 2008-06-29 21:20:51 as read
  • Improved p<I>K</I><SUB><FONT SIZE='-1'>a</FONT></SUB> prediction: Combining empirical and semimicroscopic methods
    Journal of Computational Chemistry, Vol. 9999, No. 9999. (2008), NA.
    by Gernot Kieseritzky, EW Knapp
    posted to solvation pka electrostatics bioinformatics by sobolevnrm to the group baker-group on 2008-06-27 18:08:01 as read along with 1 person RamuAnandakrishnan
  • Comparison of DNA hydration patterns obtained using two distinct computational methods, molecular dynamics simulation and three-dimensional reference interaction site model theory
    The Journal of Chemical Physics, Vol. 128, No. 18. (2008)
    by Yoshiteru Yonetani, Yutaka Maruyama, Fumio Hirata, Hidetoshi Kono
    posted to solvation nucleic_acids electrostatics by sobolevnrm to the group baker-group on 2008-06-27 12:08:04 as read
  • Debye-Hückel theory of mixed charged-zwitterionic lipid layers
    The European Physical Journal E - Soft Matter, Vol. 26, No. 3. (17 July 2008), pp. 251-260.
    by D Mengistu, S May
    posted to solvation electrostatics biomembranes by sobolevnrm to the group baker-group on 2008-06-27 12:06:38 as read
  • Benchmarking pKa Prediction Methods for Residues in Proteins
    J. Chem. Theory Comput., Vol. 4, No. 6. (10 June 2008), pp. 951-966.
    by Courtney L Stanton, Kendall N Houk
    posted to solvation pka electrostatics by sobolevnrm to the group baker-group on 2008-06-27 11:54:41 as read
  • Density functional study on the structural and thermodynamic properties of aqueous DNA-electrolyte solution in the framework of cell model
    The Journal of Chemical Physics, Vol. 128, No. 18. (2008)
    by Ke Wang, Yang X Yu, Guang H Gao
    posted to statistical_mechanics electrostatics by sobolevnrm to the group baker-group on 2008-06-26 11:56:45 as read
  • Ensemble-Based Virtual Screening Reveals Potential Novel Antiviral Compounds for Avian Influenza Neuraminidase
    J. Med. Chem. (18 June 2008)
    by Lily S Cheng, Rommie E Amaro, Dong Xu, Wilfred W Li, Peter W Arzberger, Andrew J Mccammon
    posted to protein-ligand_interactions electrostatics drug_design apbs by sobolevnrm to the group baker-group on 2008-06-21 02:55:07 as read
  • Electrostatic potentials in systems periodic in one, two, and three dimensions
    The Journal of Chemical Physics, Vol. 128, No. 17. (2008)
    by ER Smith
    posted to molecular_simulation molecular_dynamics electrostatics by sobolevnrm to the group baker-group on 2008-06-18 11:50:09 as read
  • Hydration of ionic species studied by the reference interaction site model with a repulsive bridge correction
    Journal of Computational Chemistry, Vol. 9999, No. 9999. (2008), NA.
    by Gennady N Chuev, Maxim V Fedorov, Sandro Chiodo, Nino Russo, Emilia Sicilia
    posted to statistical_mechanics solvation electrostatics by sobolevnrm to the group baker-group on 2008-06-17 12:05:08 as read
  • Molecular dynamics simulation of ion selectivity process in nanopores
    Molecular Simulation, Vol. 34, No. 2. (2008), pp. 169-175.
    by Hongmei Liu, Cynthia J Jameson, Sohail Murad
    posted to thrombin solvation electrostatics by sobolevnrm to the group baker-group on 2008-06-17 11:59:39 as read
  • Mono- and Trivalent Ions around DNA: A Small-Angle Scattering Study of Competition and Interactions
    Biophys. J., Vol. 95, No. 1. (1 July 2008), pp. 287-295.
    by Kurt Andresen, Xiangyun Qiu, Suzette A Pabit, Jessica S Lamb, Hye Y Park, Lisa W Kwok, Lois Pollack
    posted to solvation nucleic_acids electrostatics by sobolevnrm to the group baker-group on 2008-06-16 18:15:25 as read
  • Calculation of protein-ligand binding free energy by using a polarizable potential
    Proceedings of the National Academy of Sciences, Vol. 105, No. 17. (29 April 2008), pp. 6290-6295.
    by Dian Jiao, Pavel A Golubkov, Thomas A Darden, Pengyu Ren
    posted to protein-ligand_interactions molecular_simulation electrostatics by sobolevnrm to the group baker-group on 2008-06-13 11:49:09 as read along with 3 people and 2 groups barry jmccammon biehl McCammon structural_bioinformatics
  • The Block-P3M algorithm
    Computer Physics Communications, Vol. 179, No. 1-3. (July 2008), pp. 46-50.
    by JW Eastwood
    posted to molecular_simulation mathematics electrostatics by sobolevnrm to the group baker-group on 2008-06-07 15:27:27 as read
  • A buried lysine that titrates with a normal pKa : Role of conformational flexibility at the protein-water interface as a determinant of pKa values
    Protein Sci, Vol. 17, No. 5. (1 May 2008), pp. 833-845.
    by Michael J Harms, Jamie L Schlessman, Michael S Chimenti, Gloria R Sue, Ana Damjanovic, Garcia-Moreno
    posted to solvation pka electrostatics by sobolevnrm to the group baker-group on 2008-06-05 11:59:31 as read along with 2 people and 1 group RamuAnandakrishnan skoddet Nielsen group
  • Electrostatic Effects in a Network of Polar and Ionizable Groups in Staphylococcal Nuclease
    Journal of Molecular Biology, Vol. 379, No. 5. (20 June 2008), pp. 1045-1062.
    by Kelli L Baran, Michael S Chimenti, Jamie L Schlessman, Carolyn A Fitch, Katie J Herbst, Bertrand E Garcia-Moreno
    posted to solvation pka electrostatics by sobolevnrm to the group baker-group on 2008-06-03 17:12:13 as read
  • The Poisson-Boltzmann model for tRNA: Assessment of the calculation set-up and ionic concentration cutoff
    Journal of Computational Chemistry (in press)
    by M Gruziel, P Grochowski, J Trylska
    posted to solvation nucleic_acids electrostatics by sobolevnrm to the group baker-group on 2008-05-27 11:34:49 as read
    • Note: You may cite this page as: http://www.citeulike.org/group/2608/tag/electrostatics

    Result page: 1 2 3 4 5 6 7 8 9 10 Next RIS BibTeX RSS
    CiteULike organises scholarly (or academic) papers or literature and provides bibliographic (which means it makes bibliographies) for universities and higher education establishments. It helps undergraduates and postgraduates. People studying for PhDs or in postdoctoral (postdoc) positions. The service is similar in scope to EndNote or RefWorks or any other reference manager like BibTeX, but it is a social bookmarking service for scientists and humanities researchers.