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marcius's docking [32 articles]

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  • Evaluation of library ranking efficacy in virtual screening.
    J Comput Chem, Vol. 26, No. 1. (15 January 2005), pp. 11-22.
    by M Kontoyianni, GS Sokol, LM McClellan
    posted to algorithms docking drug ligand protein by marcius on 2006-10-21 14:25:23 as ** along with 3 people and 2 groups BragilMassoud nachtalp schuwi BioinfoCIPF SGU-CIPF
  • Structural bioinformatic approaches to the discovery of new antimycobacterial drugs.
    Curr Pharm Des, Vol. 10, No. 26. (2004), pp. 3195-3211.
    by K Kantardjieff, B Rupp
    posted to bioinformatics docking drug ligand protein review by marcius on 2006-10-21 14:23:24 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • Virtual screening in structure-based drug discovery.
    Mini Rev Med Chem, Vol. 4, No. 7. (September 2004), pp. 779-791.
    by X Barril, RE Hubbard, SD Morley
    posted to algorithms docking drug ligand protein review by marcius on 2006-10-21 14:22:35 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • Virtual screening in lead discovery and optimization.
    Curr Opin Drug Discov Devel, Vol. 7, No. 4. (July 2004), pp. 396-403.
    by AN Jain
    posted to algorithms docking drug ligand protein review by marcius on 2006-10-21 14:21:52 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • Integration of NMR and high-throughput screening.
    Comb Chem High Throughput Screen, Vol. 5, No. 8. (December 2002), pp. 613-621.
    by PJ Hajduk, DJ Burns
    posted to docking drug hts nmr by marcius on 2006-10-21 14:21:21 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • High-throughput nuclear magnetic resonance-based screening.
    J Med Chem, Vol. 42, No. 13. (1 July 1999), pp. 2315-2317.
    by PJ Hajduk, T Gerfin, JM Boehlen, M Häberli, D Marek, SW Fesik
    posted to docking drug nmr by marcius on 2006-10-21 14:20:40 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • NMR fragment screening: Advantages and applications.
    IDrugs, Vol. 9, No. 2. (February 2006), pp. 110-113.
    by M Schade
    posted to docking drug nmr by marcius on 2006-10-21 14:20:14 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • Library design for fragment based screening.
    Curr Top Med Chem, Vol. 5, No. 8. (2005), pp. 751-762.
    by A Schuffenhauer, S Ruedisser, AL Marzinzik, W Jahnke, M Blommers, P Selzer, E Jacoby
    posted to docking drug nmr by marcius on 2006-10-21 14:19:42 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • Docking and scoring in virtual screening for drug discovery: methods and applications.
    Nat Rev Drug Discov, Vol. 3, No. 11. (November 2004), pp. 935-949.
    by DB Kitchen, H Decornez, JR Furr, J Bajorath
    posted to algorithms docking drug ligand protein review by marcius on 2006-10-21 14:16:46 as ** along with 6 people and 9 groups BragilMassoud dgruiz beapen anita yongzhao sangeetha Bioinformatics structure-bii TSRI_MGL Atopic_and_Seborrhoeic_Dermatitis Skin_Deep insilicodrug Applied_Bimatics BioinfoCIPF SGU-CIPF
  • A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
    Proteins, Vol. 56, No. 2. (1 August 2004), pp. 235-249.
    by E Perola, WP Walters, PS Charifson
    posted to docking drug ligand protein review by marcius on 2006-10-21 14:16:10 as ** along with 4 people and 3 groups ramensky BragilMassoud yongzhao schlauchi TSRI_MGL BioinfoCIPF SGU-CIPF
  • NMR-based screening methods for lead discovery.
    EXS, No. 93. (2003), pp. 183-202.
    by M Vogtherr, K Fiebig
    posted to docking drug nmr by marcius on 2006-10-21 14:15:02 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • Current status of virtual screening as analysed by target class.
    Med Chem, Vol. 2, No. 1. (January 2006), pp. 89-112.
    by MJ Stoermer
    posted to algorithms docking drug ligand protein review by marcius on 2006-10-21 14:14:08 as ** along with 1 person and 3 groups yongzhao TSRI_MGL BioinfoCIPF SGU-CIPF
  • Recent development and application of virtual screening in drug discovery: an overview.
    Curr Pharm Des, Vol. 10, No. 9. (2004), pp. 1011-1033.
    by T Hou, X Xu
    posted to algorithms docking drug ligand protein review by marcius on 2006-10-21 14:12:44 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • A review of protein-small molecule docking methods.
    J Comput Aided Mol Des, Vol. 16, No. 3. (March 2002), pp. 151-166.
    by RD Taylor, PJ Jewsbury, JW Essex
    posted to algorithms docking drug ligand protein review by marcius on 2006-10-21 14:11:15 as ** along with 3 people and 4 groups sangeetha schlauchi massivemayhem Bioinformatics insilicodrug BioinfoCIPF SGU-CIPF
  • Modelling and simulation: a computational perspective in anticancer drug discovery.
    Curr Med Chem Anticancer Agents, Vol. 4, No. 5. (September 2004), pp. 401-403.
    by F Gago
    posted to algorithms cancer docking drug ligand protein review by marcius on 2006-10-21 14:08:41 as ** along with 1 person and 4 groups sangeetha Bioinformatics insilicodrug BioinfoCIPF SGU-CIPF
  • Docking: successes and challenges.
    Curr Pharm Des, Vol. 11, No. 3. (2005), pp. 323-333.
    by V Mohan, AC Gibbs, MD Cummings, EP Jaeger, RL DesJarlais
    posted to algorithms docking drug ligand protein review by marcius on 2006-10-21 14:08:05 as ** along with 1 person and 2 groups kazemi BioinfoCIPF SGU-CIPF
  • New methodologies for ligand-based virtual screening.
    Curr Pharm Des, Vol. 11, No. 9. (2005), pp. 1189-1202.
    by FL Stahura, J Bajorath
    posted to algorithms docking drug ligand protein review by marcius on 2006-10-21 14:03:11 as ** along with 1 person and 4 groups sangeetha Bioinformatics insilicodrug BioinfoCIPF SGU-CIPF
  • A comparative docking study and the design of potentially selective MMP inhibitors.
    J Comput Aided Mol Des, Vol. 15, No. 10. (October 2001), pp. 873-881.
    by S Hanessian, N Moitessier, E Therrien
    posted to algorithms docking ligand protein by marcius on 2006-10-21 14:01:55 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • kinDOCK: a tool for comparative docking of protein kinase ligands.
    Nucleic Acids Res, Vol. 34, No. Web Server issue. (1 July 2006)
    by L Martin, V Catherinot, G Labesse
    posted to algorithms comparative_docking docking servers by marcius on 2006-10-21 14:00:50 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • Evaluation of docking performance: comparative data on docking algorithms.
    J Med Chem, Vol. 47, No. 3. (29 January 2004), pp. 558-565.
    by M Kontoyianni, LM McClellan, GS Sokol
    posted to algorithms docking review by marcius on 2006-10-21 13:59:39 as ** along with 4 people and 5 groups yongzhao sangeetha insilico schuwi Bioinformatics TSRI_MGL insilicodrug BioinfoCIPF SGU-CIPF
  • RNA as a drug target: chemical, modelling, and evolutionary tools.
    Curr Opin Biotechnol, Vol. 9, No. 1. (February 1998), pp. 66-73.
    by T Hermann, E Westhof
    posted to disease docking drug review rna by marcius on 2006-08-01 11:46:07 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • Targeting RNA with small molecules.
    Curr Med Chem, Vol. 7, No. 1. (January 2000), pp. 73-98.
    by WD Wilson, K Li
    posted to disease docking drug review rna by marcius on 2006-08-01 11:44:58 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • Thermodynamics of RNARNA binding
    Bioinformatics, Vol. 22, No. 10. (15 May 2006), pp. 1177-1182.
    by Ulrike Muckstein, Hakim Tafer, Jorg Hackermuller, Stephan H Bernhart, Peter F Stadler, Ivo L Hofacker
    posted to biophysics docking rna by marcius on 2006-05-09 03:57:48 as ** along with 1 person and 2 groups Hosna BioinfoCIPF SGU-CIPF
  • Interaction of viruses with the mammalian RNA interference pathway.
    Virology, Vol. 344, No. 1. (5 January 2006), pp. 151-157.
    by S Schütz, P Sarnow
    posted to docking rna virus by marcius on 2006-04-17 04:37:22 as ** along with 2 people and 2 groups balicea mtagaya BioinfoCIPF SGU-CIPF
  • RNA molecules stimulate prion protein conversion.
    Nature, Vol. 425, No. 6959. (16 October 2003), pp. 717-720.
    by NR Deleault, RW Lucassen, S Supattapone
    posted to disease docking protein rna by marcius on 2006-03-14 03:01:13 as ** along with 1 person and 2 groups mtagaya BioinfoCIPF SGU-CIPF
  • New screening tools for lead compound identification
    Nat Chem Biol, Vol. 1, No. 3. (2005), pp. 125-125.
    by Tomi K Sawyer
    posted to classification docking drug review by marcius on 2006-02-24 00:19:11 as ** along with 2 groups BioinfoCIPF SGU-CIPF
  • Chemical space and biology
    Nature, Vol. 432, No. 7019. (16 December 2004), pp. 824-828.
    by Christopher M Dobson
    posted to bioinformatics biology databases docking drug by marcius on 2006-02-24 00:10:26 as ** along with 2 people and 3 groups kuhn caporaso biomedical-nlp BioinfoCIPF SGU-CIPF
  • Exploring biology with small organic molecules
    Nature, Vol. 432, No. 7019. (16 December 2004), pp. 846-854.
    by Brent R Stockwell
    posted to biology disease docking drug by marcius on 2006-02-24 00:08:53 as ** along with 1 person and 2 groups kuhn BioinfoCIPF SGU-CIPF
  • Thermodynamics of RNA-RNA Binding.
    Bioinformatics (29 January 2006)
    by Ulrike Mückstein, Hakim Tafer, Jörg Hackermüller, Stephan H H Bernhart, Peter F F Stadler, Ivo L L Hofacker
    posted to biophysics docking rna by marcius on 2006-02-10 22:03:03 as ** along with 6 people and 3 groups eckart_bindewald andersbj arcticrasta ilh mtw physics microRNA BioinfoCIPF SGU-CIPF
  • Lead discovery using molecular docking.
    Curr Opin Chem Biol, Vol. 6, No. 4. (August 2002), pp. 439-446.
    by BK Shoichet, SL McGovern, B Wei, JJ Irwin
    posted to docking review by marcius on 2006-01-13 23:59:01 as ** along with 3 people and 2 groups apaydin blackbart massivemayhem BioinfoCIPF SGU-CIPF
  • Virtual screening of chemical libraries
    Nature, Vol. 432, No. 7019. (16 December 2004), pp. 862-865.
    by Brian K Shoichet
    posted to biophysics docking review structure by marcius on 2006-01-13 23:58:35 as ** along with 2 people and 2 groups peprovy blackbart BioinfoCIPF SGU-CIPF
  • Geometry-based flexible and symmetric protein docking.
    Proteins, Vol. 60, No. 2. (1 August 2005), pp. 224-231.
    by D Schneidman-Duhovny, Y Inbar, R Nussinov, HJ Wolfson
    posted to docking protein_interactions software by marcius on 2005-10-21 19:48:00 as ** along with 2 people and 2 groups vavi bicko BioinfoCIPF SGU-CIPF
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