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Journal Abstract Search

411 related items for PubMed ID: 1588550

  • 1. 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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  • 2. Hydrogen bonding and molecular surface shape complementarity as a basis for protein docking.
    Meyer M, Wilson P, Schomburg D.
    J Mol Biol; 1996 Nov 22; 264(1):199-210. PubMed ID: 8950278
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  • 3. "Soft docking": matching of molecular surface cubes.
    Jiang F, Kim SH.
    J Mol Biol; 1991 May 05; 219(1):79-102. PubMed ID: 2023263
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  • 4. A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
    Katz BA, Elrod K, Luong C, Rice MJ, Mackman RL, Sprengeler PA, Spencer J, Hataye J, Janc J, Link J, Litvak J, Rai R, Rice K, Sideris S, Verner E, Young W.
    J Mol Biol; 2001 Apr 13; 307(5):1451-86. PubMed ID: 11292354
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  • 5. The orientation of N-H...O=C and N-H...N hydrogen bonds in biological systems: how good is a point charge as a model for a hydrogen bonding atom?
    Apaya RP, Bondí M, Price SL.
    J Comput Aided Mol Des; 1997 Sep 13; 11(5):479-90. PubMed ID: 9385551
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  • 6. Atoms-in-molecules study of the genetically encoded amino acids. III. Bond and atomic properties and their correlations with experiment including mutation-induced changes in protein stability and genetic coding.
    Matta CF, Bader RF.
    Proteins; 2003 Aug 15; 52(3):360-99. PubMed ID: 12866050
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  • 7. Molecular docking using surface complementarity.
    Sobolev V, Wade RC, Vriend G, Edelman M.
    Proteins; 1996 May 15; 25(1):120-9. PubMed ID: 8727324
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  • 8. Occluded molecular surface analysis of ligand-macromolecule contacts: application to HIV-1 protease-inhibitor complexes.
    Pattabiraman N.
    J Med Chem; 1999 Sep 23; 42(19):3821-34. PubMed ID: 10508431
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  • 11. An electronic environment and contact direction sensitive scoring function for predicting affinities of protein-ligand complexes in Contour(®).
    Lindblom PR, Wu G, Liu Z, Jim KC, Baldwin JJ, Gregg RE, Claremon DA, Singh SB.
    J Mol Graph Model; 2014 Sep 23; 53():118-127. PubMed ID: 25123650
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  • 12. An automated method for predicting the positions of hydrogen-bonding atoms in binding sites.
    Mills JE, Perkins TD, Dean PM.
    J Comput Aided Mol Des; 1997 May 23; 11(3):229-42. PubMed ID: 9263850
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  • 13. 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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  • 14. AutoSite: an automated approach for pseudo-ligands prediction-from ligand-binding sites identification to predicting key ligand atoms.
    Ravindranath PA, Sanner MF.
    Bioinformatics; 2016 Oct 15; 32(20):3142-3149. PubMed ID: 27354702
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  • 15. Crystal structure of a glutamate/aspartate binding protein complexed with a glutamate molecule: structural basis of ligand specificity at atomic resolution.
    Hu Y, Fan CP, Fu G, Zhu D, Jin Q, Wang DC.
    J Mol Biol; 2008 Sep 26; 382(1):99-111. PubMed ID: 18640128
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  • 16. Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation.
    Word JM, Lovell SC, Richardson JS, Richardson DC.
    J Mol Biol; 1999 Jan 29; 285(4):1735-47. PubMed ID: 9917408
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  • 17. Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
    Behnen J, Köster H, Neudert G, Craan T, Heine A, Klebe G.
    ChemMedChem; 2012 Feb 06; 7(2):248-61. PubMed ID: 22213702
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