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Journal Abstract Search

257 related items for PubMed ID: 12579581

  • 1. Gaussian docking functions.
    McGann MR, Almond HR, Nicholls A, Grant JA, Brown FK.
    Biopolymers; 2003 Jan; 68(1):76-90. PubMed ID: 12579581
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  • 2. 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
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  • 5. Development and evaluation of a generic evolutionary method for protein-ligand docking.
    Yang JM.
    J Comput Chem; 2004 Apr 30; 25(6):843-57. PubMed ID: 15011256
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  • 6. Role of binding entropy in the refinement of protein-ligand docking predictions: analysis based on the use of 11 scoring functions.
    Ruvinsky AM.
    J Comput Chem; 2007 Jun 30; 28(8):1364-72. PubMed ID: 17342720
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  • 7. Protein-ligand docking against non-native protein conformers.
    Verdonk ML, Mortenson PN, Hall RJ, Hartshorn MJ, Murray CW.
    J Chem Inf Model; 2008 Nov 30; 48(11):2214-25. PubMed ID: 18954138
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  • 8. Novel statistical-thermodynamic methods to predict protein-ligand binding positions using probability distribution functions.
    Ruvinsky AM, Kozintsev AV.
    Proteins; 2006 Jan 01; 62(1):202-8. PubMed ID: 16287127
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  • 9. Assessing scoring functions for protein-ligand interactions.
    Ferrara P, Gohlke H, Price DJ, Klebe G, Brooks CL.
    J Med Chem; 2004 Jun 03; 47(12):3032-47. PubMed ID: 15163185
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  • 12. Comparative assessment of scoring functions on a diverse test set.
    Cheng T, Li X, Li Y, Liu Z, Wang R.
    J Chem Inf Model; 2009 Apr 03; 49(4):1079-93. PubMed ID: 19358517
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  • 14. Examination of shape complementarity in docking of unbound proteins.
    Norel R, Petrey D, Wolfson HJ, Nussinov R.
    Proteins; 1999 Aug 15; 36(3):307-17. PubMed ID: 10409824
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  • 16. A general approach for developing system-specific functions to score protein-ligand docked complexes using support vector inductive logic programming.
    Amini A, Shrimpton PJ, Muggleton SH, Sternberg MJ.
    Proteins; 2007 Dec 01; 69(4):823-31. PubMed ID: 17910057
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  • 17. 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
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  • 18. Conformational selection of protein kinase A revealed by flexible-ligand flexible-protein docking.
    Huang Z, Wong CF.
    J Comput Chem; 2009 Mar 01; 30(4):631-44. PubMed ID: 18711718
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  • 19. 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
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  • 20. New and fast statistical-thermodynamic method for computation of protein-ligand binding entropy substantially improves docking accuracy.
    Ruvinsky AM, Kozintsev AV.
    J Comput Chem; 2005 Aug 01; 26(11):1089-95. PubMed ID: 15929088
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