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Journal Abstract Search

366 related items for PubMed ID: 21975806

  • 1. A python-based docking program utilizing a receptor bound ligand shape: PythDock.
    Chung JY, Cho SJ, Hah JM.
    Arch Pharm Res; 2011 Sep; 34(9):1451-8. PubMed ID: 21975806
    [Abstract] [Full Text] [Related]

  • 2. SODOCK: swarm optimization for highly flexible protein-ligand docking.
    Chen HM, Liu BF, Huang HL, Hwang SF, Ho SY.
    J Comput Chem; 2007 Jan 30; 28(2):612-23. PubMed ID: 17186483
    [Abstract] [Full Text] [Related]

  • 3. Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy.
    Erickson JA, Jalaie M, Robertson DH, Lewis RA, Vieth M.
    J Med Chem; 2004 Jan 01; 47(1):45-55. PubMed ID: 14695819
    [Abstract] [Full Text] [Related]

  • 4. RosettaLigand docking with full ligand and receptor flexibility.
    Davis IW, Baker D.
    J Mol Biol; 2009 Jan 16; 385(2):381-92. PubMed ID: 19041878
    [Abstract] [Full Text] [Related]

  • 5. PSI-DOCK: towards highly efficient and accurate flexible ligand docking.
    Pei J, Wang Q, Liu Z, Li Q, Yang K, Lai L.
    Proteins; 2006 Mar 01; 62(4):934-46. PubMed ID: 16395666
    [Abstract] [Full Text] [Related]

  • 6. A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
    Perola E, Walters WP, Charifson PS.
    Proteins; 2004 Aug 01; 56(2):235-49. PubMed ID: 15211508
    [Abstract] [Full Text] [Related]

  • 7. FDS: flexible ligand and receptor docking with a continuum solvent model and soft-core energy function.
    Taylor RD, Jewsbury PJ, Essex JW.
    J Comput Chem; 2003 Oct 01; 24(13):1637-56. PubMed ID: 12926007
    [Abstract] [Full Text] [Related]

  • 8. Evaluation of docking performance: comparative data on docking algorithms.
    Kontoyianni M, McClellan LM, Sokol GS.
    J Med Chem; 2004 Jan 29; 47(3):558-65. PubMed ID: 14736237
    [Abstract] [Full Text] [Related]

  • 9. pso@autodock: a fast flexible molecular docking program based on Swarm intelligence.
    Namasivayam V, Günther R.
    Chem Biol Drug Des; 2007 Dec 29; 70(6):475-84. PubMed ID: 17986206
    [Abstract] [Full Text] [Related]

  • 10. Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.
    Stroganov OV, Novikov FN, Stroylov VS, Kulkov V, Chilov GG.
    J Chem Inf Model; 2008 Dec 29; 48(12):2371-85. PubMed ID: 19007114
    [Abstract] [Full Text] [Related]

  • 11. Investigation of MM-PBSA rescoring of docking poses.
    Thompson DC, Humblet C, Joseph-McCarthy D.
    J Chem Inf Model; 2008 May 29; 48(5):1081-91. PubMed ID: 18465849
    [Abstract] [Full Text] [Related]

  • 12. The consequences of scoring docked ligand conformations using free energy correlations.
    Spyrakis F, Amadasi A, Fornabaio M, Abraham DJ, Mozzarelli A, Kellogg GE, Cozzini P.
    Eur J Med Chem; 2007 Jul 29; 42(7):921-33. PubMed ID: 17346861
    [Abstract] [Full Text] [Related]

  • 13. Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine.
    Jain AN.
    J Med Chem; 2003 Feb 13; 46(4):499-511. PubMed ID: 12570372
    [Abstract] [Full Text] [Related]

  • 14. Improving docking results via reranking of ensembles of ligand poses in multiple X-ray protein conformations with MM-GBSA.
    Greenidge PA, Kramer C, Mozziconacci JC, Sherman W.
    J Chem Inf Model; 2014 Oct 27; 54(10):2697-717. PubMed ID: 25266271
    [Abstract] [Full Text] [Related]

  • 15. Gaussian docking functions.
    McGann MR, Almond HR, Nicholls A, Grant JA, Brown FK.
    Biopolymers; 2003 Jan 27; 68(1):76-90. PubMed ID: 12579581
    [Abstract] [Full Text] [Related]

  • 16. Development and validation of a genetic algorithm for flexible docking.
    Jones G, Willett P, Glen RC, Leach AR, Taylor R.
    J Mol Biol; 1997 Apr 04; 267(3):727-48. PubMed ID: 9126849
    [Abstract] [Full Text] [Related]

  • 17. LigDockCSA: protein-ligand docking using conformational space annealing.
    Shin WH, Heo L, Lee J, Ko J, Seok C, Lee J.
    J Comput Chem; 2011 Nov 30; 32(15):3226-32. PubMed ID: 21837636
    [Abstract] [Full Text] [Related]

  • 18. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
    Huang SY, Zou X.
    Proteins; 2007 Feb 01; 66(2):399-421. PubMed ID: 17096427
    [Abstract] [Full Text] [Related]

  • 19. A critical assessment of docking programs and scoring functions.
    Warren GL, Andrews CW, Capelli AM, Clarke B, LaLonde J, Lambert MH, Lindvall M, Nevins N, Semus SF, Senger S, Tedesco G, Wall ID, Woolven JM, Peishoff CE, Head MS.
    J Med Chem; 2006 Oct 05; 49(20):5912-31. PubMed ID: 17004707
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  • 20. DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity prediction.
    Velec HF, Gohlke H, Klebe G.
    J Med Chem; 2005 Oct 06; 48(20):6296-303. PubMed ID: 16190756
    [Abstract] [Full Text] [Related]

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