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Journal Abstract Search

109 related items for PubMed ID: 8648645

  • 1. X-SITE: use of empirically derived atomic packing preferences to identify favourable interaction regions in the binding sites of proteins.
    Laskowski RA, Thornton JM, Humblet C, Singh J.
    J Mol Biol; 1996 May 31; 259(1):175-201. PubMed ID: 8648645
    [Abstract] [Full Text] [Related]

  • 2. A method for biomolecular structural recognition and docking allowing conformational flexibility.
    Sandak B, Nussinov R, Wolfson HJ.
    J Comput Biol; 1998 May 31; 5(4):631-54. PubMed ID: 10072081
    [Abstract] [Full Text] [Related]

  • 3. SuperStar: improved knowledge-based interaction fields for protein binding sites.
    Verdonk ML, Cole JC, Watson P, Gillet V, Willett P.
    J Mol Biol; 2001 Mar 30; 307(3):841-59. PubMed ID: 11273705
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  • 5. Prediction of human immunodeficiency virus protease cleavage sites in proteins.
    Chou KC.
    Anal Biochem; 1996 Jan 01; 233(1):1-14. PubMed ID: 8789141
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  • 7. A branch-and-bound method for optimal atom-type assignment in de novo ligand design.
    Todorov NP, Dean PM.
    J Comput Aided Mol Des; 1998 Jul 01; 12(4):335-49. PubMed ID: 9777492
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  • 9. Detection of 3D atomic similarities and their use in the discrimination of small molecule protein-binding sites.
    Najmanovich R, Kurbatova N, Thornton J.
    Bioinformatics; 2008 Aug 15; 24(16):i105-11. PubMed ID: 18689810
    [Abstract] [Full Text] [Related]

  • 10. A new method for estimating the importance of hydrophobic groups in the binding site of a protein.
    Kelly MD, Mancera RL.
    J Med Chem; 2005 Feb 24; 48(4):1069-78. PubMed ID: 15715474
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  • 11. FlexE: efficient molecular docking considering protein structure variations.
    Claussen H, Buning C, Rarey M, Lengauer T.
    J Mol Biol; 2001 Apr 27; 308(2):377-95. PubMed ID: 11327774
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  • 13. Computer simulation of protein-ligand interactions: challenges and applications.
    Hassan SA, Gracia L, Vasudevan G, Steinbach PJ.
    Methods Mol Biol; 2005 Apr 27; 305():451-92. PubMed ID: 15940011
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  • 14. Definition and display of steric, hydrophobic, and hydrogen-bonding properties of ligand binding sites in proteins using Lee and Richards accessible surface: validation of a high-resolution graphical tool for drug design.
    Bohacek RS, McMartin C.
    J Med Chem; 1992 May 15; 35(10):1671-84. PubMed ID: 1588550
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  • 15. The computer program LUDI: a new method for the de novo design of enzyme inhibitors.
    Böhm HJ.
    J Comput Aided Mol Des; 1992 Feb 15; 6(1):61-78. PubMed ID: 1583540
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  • 16. Pharmacophore-based molecular docking to account for ligand flexibility.
    Joseph-McCarthy D, Thomas BE, Belmarsh M, Moustakas D, Alvarez JC.
    Proteins; 2003 May 01; 51(2):172-88. PubMed ID: 12660987
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  • 17. Very fast prediction and rationalization of pKa values for protein-ligand complexes.
    Bas DC, Rogers DM, Jensen JH.
    Proteins; 2008 Nov 15; 73(3):765-83. PubMed ID: 18498103
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  • 19. The propagation of binding interactions to remote sites in proteins: analysis of the binding of the monoclonal antibody D1.3 to lysozyme.
    Freire E.
    Proc Natl Acad Sci U S A; 1999 Aug 31; 96(18):10118-22. PubMed ID: 10468572
    [Abstract] [Full Text] [Related]

  • 20. 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]

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