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superpyrins binding [14 articles]

Neue Publikationen in superpyrins Bibliothek eingetragen unter dem Bezeichner: binding. You can also see everyone's binding.
  • A Thermodynamic Guide to Affinity Optimization of Drug Candidates
    Proteomics and Protein-Protein Interactions (2005), pp. 291-307.
    by Ernesto Freire
    posted to binding selectivity by superpyrin on 2008-05-22 12:20:09 as **
  • A computational tool to optimize ligand selectivity between two similar biomacromolecular targets
    Journal of Computer-Aided Molecular Design, Vol. 19, No. 2. (28 February 2005), pp. 69-82.
    by Deliang L Chen, Glen E Kellogg
    posted to binding selectivity by superpyrin on 2008-05-22 12:13:16 as **
  • An Intuitive Look at the Relationship of Ki and IC50: A More General Use for the Dixon Plot
    Journal of Chemical Education, Vol. 80 (February 2003), 214.
    by BT Burlingham, TS Widlanski
    posted to binding by superpyrin on 2008-05-21 11:51:21 as **
  • The maximal affinity of ligands.
    Proc Natl Acad Sci U S A, Vol. 96, No. 18. (31 August 1999), pp. 9997-10002.
    by ID Kuntz, K Chen, KA Sharp, PA Kollman
    posted to binding nonbond by superpyrin on 2008-04-02 15:47:16 as ** along with 2 people BragilMassoud alexg
  • Contribution of Conformer Focusing to the Uncertainty in Predicting Free Energies for Protein-Ligand Binding
    J. Med. Chem., Vol. 49, No. 20. (5 October 2006), pp. 5880-5884.
    by J Tirado-Rives, WL Jorgensen
    posted to binding by superpyrin on 2007-08-27 13:14:58 as ** along with 3 people krapnik daevans dmobley
  • 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 binding by superpyrin on 2007-08-27 08:12:09 as ** along with 4 people and 3 groups barry insilico daevans dmobley structural_bioinformatics Bioinformatics Computer Aided Drug Design
  • Approaches to the Description and Prediction of the Binding Affinity of Small-Molecule Ligands to Macromolecular Receptors
    Angewandte Chemie International Edition, Vol. 41, No. 15. (2002), pp. 2644-2676.
    by Holger Gohlke, Gerhard Klebe
    posted to binding by superpyrin on 2007-08-05 09:49:12 as ** along with 3 people kazemi LamBras boris_aguilar
  • Ligand binding affinities from MD simulations.
    Acc Chem Res, Vol. 35, No. 6. (June 2002), pp. 358-365.
    by J Aqvist, VB Luzhkov, BO Brandsdal
    posted to binding by superpyrin on 2007-08-05 09:19:32 as ** along with 3 people and 2 groups barry baaden dimka structural_bioinformatics Bioinformatics
  • Binding affinity prediction with different force fields: examination of the linear interaction energy method.
    J Comput Chem, Vol. 25, No. 10. (30 July 2004), pp. 1242-1254.
    by M Almlöf, BO Brandsdal, J Aqvist
    posted to binding by superpyrin on 2007-08-05 09:15:04 as ** along with 1 person baaden
  • SCORE: A New Empirical Method for Estimating the Binding Affinity of a Protein-Ligand Complex
    Journal of Molecular Modeling, Vol. 4, No. 12. (December 1998), pp. 379-394.
    by Renxiao Wang, Liang Liu, Luhua Lai, Youqi Tang
    posted to binding by superpyrin on 2007-08-05 09:02:58 as ** along with 1 person papatonyhill
  • Do Structurally Similar Ligands Bind in a Similar Fashion?
    J. Med. Chem., Vol. 49, No. 23. (16 November 2006), pp. 6716-6725.
    by J Bostrom, A Hogner, S Schmitt
    posted to binding conformations by superpyrin on 2007-08-04 14:08:38 as ** along with 3 people schlauchi daevans nickolay
  • Physics-based methods for studying protein-ligand interactions.
    Curr Opin Drug Discov Devel, Vol. 10, No. 3. (May 2007), pp. 325-331.
    by N Huang, MP Jacobson
    posted to binding by superpyrin on 2007-06-10 08:40:27 as *** along with 1 person higueruelo
  • Towards predictive ligand design with free-energy based computational methods?
    Curr Med Chem, Vol. 13, No. 29. (2006), pp. 3583-3608.
    by N Foloppe, R Hubbard
    posted to binding by superpyrin on 2007-06-10 08:38:49 as ****
  • Molecular mechanics methods for predicting protein-ligand binding.
    Phys Chem Chem Phys, Vol. 8, No. 44. (28 November 2006), pp. 5166-5177.
    by N Huang, C Kalyanaraman, K Bernacki, MP Jacobson
    posted to binding by superpyrin on 2007-06-10 08:32:37 as read along with 1 person ucbcjbm
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