registrieren | anmelden | FAQ      [?] 

Tag protein_ligand [14 articles]

Recent papers classified by the tag protein_ligand.
  • Electrostatics of Ligand Binding: Parametrization of the Generalized Born Model and Comparison with the Poisson-Boltzmann Approach
    J. Phys. Chem. B, Vol. 110, No. 18. (11 May 2006), pp. 9304-9313.
    by HY Liu, X Zou
    posted to protein_ligand protein_electrostatics gb by onufriev on 2008-09-11 20:34:27 as **
  • Inclusion of Solvation in Ligand Binding Free Energy Calculations Using the Generalized-Born Model
    J. Am. Chem. Soc., Vol. 121, No. 35. (8 September 1999), pp. 8033-8043.
    by X Zou, S Yaxiong, ID Kuntz
    posted to protein_ligand gb by onufriev on 2008-11-04 23:52:20 as **
  • DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
    Journal of Computer-Aided Molecular Design (May 2001), pp. 411-428.
    by TJA Ewing, S Makino, AG Skillman, ID Kuntz
    posted to protein_ligand by onufriev on 2008-11-02 02:10:12 as **
  • Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf.
    J Comput Chem, Vol. 25, No. 2. (30 January 2004), pp. 238-250.
    by H Gohlke, DA Case
    posted to protein_ligand gb by onufriev on 2008-11-02 00:40:27 as ** along with 1 person lillekatt
  • Protein-protein binding is often associated with changes in protonation state
    Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA.
    by Aaron C Mason, Jan H Jensen
    posted to protein_ligand pka by onufriev on 2008-10-15 15:00:16 as ** along with 5 people and 3 groups csrocha bicko sobolevnrm RamuAnandakrishnan barry baker-group structural_bioinformatics McCammon
  • Protein Flexibility and Mobility in Structure-Based Drug Design
    pp. 455-476.
    by Aqeel Ahmed
    posted to review protein_structure protein_ligand protein_dynamics drug_design docking by barry to the group Bioinformatics on 2007-08-13 19:47:46 as * along with 1 group structural_bioinformatics
  • A new method for estimating the importance of hydrophobic groups in the binding site of a protein.
    J Med Chem, Vol. 48, No. 4. (24 February 2005), pp. 1069-1078.
    by MD Kelly, RL Mancera
    posted to protein_structure protein_ligand hydrophobic docking bioinf_methods by barry to the group Bioinformatics on 2007-07-19 18:29:38 as ** along with 3 people and 1 group nickolay blackbart ladab structural_bioinformatics
  • Predicting Absolute Ligand Binding Free Energies to a Simple Model Site
    Journal of Molecular Biology, Vol. 371, No. 4. (24 August 2007), pp. 1118-1134.
    by David L Mobley, Alan P Graves, John D Chodera, Andrea C Mcreynolds, Brian K Shoichet, Ken A Dill
    posted to protein_structure protein_ligand docking by barry to the group Bioinformatics on 2007-08-06 18:14:06 as ** along with 4 people and 2 groups insilico daevans superpyrin dmobley structural_bioinformatics Computer Aided Drug Design
  • De Novo Computational Design of Retro-Aldol Enzymes
    Science, Vol. 319, No. 5868. (7 March 2008), pp. 1387-1391.
    by Lin Jiang, Eric A Althoff, Fernando R Clemente, Lindsey Doyle, Daniela Rothlisberger, Alexandre Zanghellini, Jasmine L Gallaher, Jamie L Betker, Fujie Tanaka, Carlos F Barbas, Donald Hilvert, Kendall N Houk, Barry L Stoddard, David Baker
    posted to protein_design protein_ligand structure_refinement by barry to the group McCammon on 2008-07-08 01:28:41 as **** along with 12 people and 2 groups aalibes jwm aprasad dgront zwang sobolevnrm davidlott msuarezdiez scienbox ucbcjbm joseph_x_zhou cambray structural_bioinformatics baker-group
  • Novel Method for Probing the Specificity Binding Profile of Ligands: Applications to HIV Protease
    Chemical Biology & Drug Design, Vol. 71, No. 5. (2008), pp. 387-407.
    by Woody Sherman, Bruce Tidor
    posted to drug_discovery protein_ligand by barry to the group McCammon on 2008-07-08 01:14:49 as ** along with 1 person and 1 group jmccammon structural_bioinformatics
  • Avian influenza virus, a very sticky situation
    Current Opinion in Chemical Biology, Vol. 12, No. 1. (February 2008), pp. 102-108.
    by Mark von Itzstein
    posted to drug_discovery protein_ligand by barry to the group McCammon on 2008-07-08 01:24:41 as ** along with 1 person jmccammon
  • A Ligand-centric Analysis of the Diversity and Evolution of Protein-Ligand Relationships in E. coli
    Journal of Molecular Biology, Vol. 347, No. 2. (25 March 2005), pp. 415-436.
    by Irene Nobeli, Ruth V Spriggs, Richard A George, Janet M Thornton
    posted to evolution inpharmatica protein_ligand by gbart on 2005-11-11 15:31:33 as ** along with 4 people mdimmic labedan kuhn bpb
  • Protein Structural Change Upon Ligand Binding: Linear Response Theory
    Physical Review Letters, Vol. 94, No. 7. (2005)
    by Mitsunori Ikeguchi, Jiro Ueno, Miwa Sato, Akinori Kidera
    posted to protein_mechanics protein_ligand molecular_geometry by boris_aguilar on 2008-10-30 22:58:03 as **** along with 2 people apaydin aqeel
  • Molecular Forces in Antibody Maturation
    Physical Review Letters, Vol. 95, No. 20. (2005)
    by Melik C Demirel, Arthur M Lesk
    posted to protein_mechanics protein_ligand molecular_geometry by boris_aguilar on 2008-10-30 22:59:42 as ***
    • Bemerkung: Sie können diese Seite wie folgt zitieren: http://www.citeulike.org/tag/protein_ligand

    RIS BibTeX
    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.