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superpyrin's docking [8 articles]

Recent papers added to superpyrin's library classified by the tag docking. You can also see everyone's docking.
  • Receptor flexibility for large-scale in silico ligand screens: chances and challenges.
    Methods in molecular biology (Clifton, N.J.), Vol. 443 (2008), pp. 353-364.
    by B Fischer, H Merlitz, W Wenzel
    posted to screening docking by superpyrin on 2008-05-04 14:49:48 as **
  • Virtual screening with flexible docking and COMBINE-based models. Application to a series of factor Xa inhibitors.
    J Med Chem, Vol. 47, No. 4. (12 February 2004), pp. 805-820.
    by M Murcia, AR Ortiz
    posted to docking screening by superpyrin on 2007-09-01 11:50:45 as ** along with 1 person nachtalp
  • Modeling Water Molecules in Protein-Ligand Docking Using GOLD.
    J Med Chem, Vol. 48, No. 20. (6 October 2005), pp. 6504-6515.
    by ML Verdonk, G Chessari, JC Cole, MJ Hartshorn, CW Murray, JW Nissink, RD Taylor, R Taylor
    posted to docking by superpyrin on 2007-08-05 18:29:28 as ** along with 3 people and 2 groups BragilMassoud sangeetha trmr Bioinformatics insilicodrug
  • A Critical Assessment of Docking Programs and Scoring Functions
    J. Med. Chem., Vol. 49, No. 20. (5 October 2006), pp. 5912-5931.
    by GL Warren, CW Andrews, AM Capelli, B Clarke, J Lalonde, MH Lambert, M Lindvall, N Nevins, SF Semus, S Senger, G Tedesco, ID Wall, JM Woolven, CE Peishoff, MS Head
    posted to docking by superpyrin on 2007-08-04 14:26:32 as ** along with 5 people BragilMassoud aalibes chad_davis schlauchi daevans
  • Diverse, high-quality test set for the validation of protein-ligand docking performance.
    J Med Chem, Vol. 50, No. 4. (22 February 2007), pp. 726-741.
    by MJ Hartshorn, ML Verdonk, G Chessari, SC Brewerton, WT Mooij, PN Mortenson, CW Murray
    posted to docking by superpyrin on 2007-08-04 14:19:45 as ** along with 5 people thanatos BragilMassoud daevans ramensky hmk
  • A fast flexible docking method using an incremental construction algorithm.
    J Mol Biol, Vol. 261, No. 3. (23 August 1996), pp. 470-489.
    by M Rarey, B Kramer, T Lengauer, G Klebe
    posted to docking by superpyrin on 2007-08-01 14:23:11 as ** along with 4 people BragilMassoud tjimenez nachtalp schlauchi
  • Lead optimization via high-throughput molecular docking.
    Curr Opin Drug Discov Devel, Vol. 10, No. 3. (May 2007), pp. 264-274.
    by D Joseph-McCarthy, JC Baber, E Feyfant, DC Thompson, C Humblet
    posted to docking leadopt by superpyrin on 2007-07-22 13:37:02 as ***
  • Molecular modeling of hydration in drug design.
    Curr Opin Drug Discov Devel, Vol. 10, No. 3. (May 2007), pp. 275-280.
    by RL Mancera
    posted to docking hydration by superpyrin on 2007-07-22 13:35:36 as ***
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