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PUBMED FOR HANDHELDS

Journal Abstract Search


165 related items for PubMed ID: 17238252

  • 21.
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  • 22. Novel scoring functions comprising QXP, SASA, and protein side-chain entropy terms.
    Giordanetto F, Cotesta S, Catana C, Trosset JY, Vulpetti A, Stouten PF, Kroemer RT.
    J Chem Inf Comput Sci; 2004; 44(3):882-93. PubMed ID: 15154753
    [Abstract] [Full Text] [Related]

  • 23. Hierarchical PLS modeling for predicting the binding of a comprehensive set of structurally diverse protein-ligand complexes.
    Lindström A, Pettersson F, Almqvist F, Berglund A, Kihlberg J, Linusson A.
    J Chem Inf Model; 2006; 46(3):1154-67. PubMed ID: 16711735
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  • 24. Maximum common binding modes (MCBM): consensus docking scoring using multiple ligand information and interaction fingerprints.
    Renner S, Derksen S, Radestock S, Mörchen F.
    J Chem Inf Model; 2008 Feb; 48(2):319-32. PubMed ID: 18211051
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  • 28. Development of KiBank, a database supporting structure-based drug design.
    Zhang J, Aizawa M, Amari S, Iwasawa Y, Nakano T, Nakata K.
    Comput Biol Chem; 2004 Dec; 28(5-6):401-7. PubMed ID: 15556481
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  • 30. Nonlinear scoring functions for similarity-based ligand docking and binding affinity prediction.
    Brylinski M.
    J Chem Inf Model; 2013 Nov 25; 53(11):3097-112. PubMed ID: 24171431
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  • 31.
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  • 32. Evaluation of binary QSAR models derived from LUDI and MOE scoring functions for structure based virtual screening.
    Prathipati P, Saxena AK.
    J Chem Inf Model; 2006 Nov 25; 46(1):39-51. PubMed ID: 16426038
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  • 33. Docking ligands into flexible and solvated macromolecules. 5. Force-field-based prediction of binding affinities of ligands to proteins.
    Englebienne P, Moitessier N.
    J Chem Inf Model; 2009 Nov 25; 49(11):2564-71. PubMed ID: 19928836
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  • 34.
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  • 35. Structural requirements for factor Xa inhibition by 3-oxybenzamides with neutral P1 substituents: combining X-ray crystallography, 3D-QSAR, and tailored scoring functions.
    Matter H, Will DW, Nazaré M, Schreuder H, Laux V, Wehner V.
    J Med Chem; 2005 May 05; 48(9):3290-312. PubMed ID: 15857135
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  • 36. 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 05; 48(12):2371-85. PubMed ID: 19007114
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  • 37. Ranking poses in structure-based lead discovery and optimization: current trends in scoring function development.
    Rajamani R, Good AC.
    Curr Opin Drug Discov Devel; 2007 May 05; 10(3):308-15. PubMed ID: 17554857
    [Abstract] [Full Text] [Related]

  • 38. Information theory-based scoring function for the structure-based prediction of protein-ligand binding affinity.
    Kulharia M, Goody RS, Jackson RM.
    J Chem Inf Model; 2008 Oct 05; 48(10):1990-8. PubMed ID: 18767831
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  • 39. Consensus scoring with feature selection for structure-based virtual screening.
    Teramoto R, Fukunishi H.
    J Chem Inf Model; 2008 Feb 05; 48(2):288-95. PubMed ID: 18229906
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  • 40. Investigation of MM-PBSA rescoring of docking poses.
    Thompson DC, Humblet C, Joseph-McCarthy D.
    J Chem Inf Model; 2008 May 05; 48(5):1081-91. PubMed ID: 18465849
    [Abstract] [Full Text] [Related]


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