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Journal Abstract Search

260 related items for PubMed ID: 12756610

  • 21. 1H NMR characterization of the solution active site structure of substrate-bound, cyanide-inhibited heme oxygenase from Neisseria meningitidis: comparison to crystal structures.
    Liu Y, Zhang X, Yoshida T, La Mar GN.
    Biochemistry; 2004 Aug 10; 43(31):10112-26. PubMed ID: 15287739
    [Abstract] [Full Text] [Related]

  • 22. Strategies to calculate water binding free energies in protein-ligand complexes.
    Bodnarchuk MS, Viner R, Michel J, Essex JW.
    J Chem Inf Model; 2014 Jun 23; 54(6):1623-33. PubMed ID: 24684745
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  • 23. 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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  • 24. Hydration in drug design. 3. Conserved water molecules at the ligand-binding sites of homologous proteins.
    Poornima CS, Dean PM.
    J Comput Aided Mol Des; 1995 Dec 15; 9(6):521-31. PubMed ID: 8789194
    [Abstract] [Full Text] [Related]

  • 25. Hydration in drug design. 1. Multiple hydrogen-bonding features of water molecules in mediating protein-ligand interactions.
    Poornima CS, Dean PM.
    J Comput Aided Mol Des; 1995 Dec 15; 9(6):500-12. PubMed ID: 8789192
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  • 26. Prediction of Ordered Water Molecules in Protein Binding Sites from Molecular Dynamics Simulations: The Impact of Ligand Binding on Hydration Networks.
    Rudling A, Orro A, Carlsson J.
    J Chem Inf Model; 2018 Feb 26; 58(2):350-361. PubMed ID: 29308882
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  • 28. Time-efficient docking of flexible ligands into active sites of proteins.
    Rarey M, Kramer B, Lengauer T.
    Proc Int Conf Intell Syst Mol Biol; 1995 Feb 26; 3():300-8. PubMed ID: 7584452
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  • 29. Rapid and accurate prediction and scoring of water molecules in protein binding sites.
    Ross GA, Morris GM, Biggin PC.
    PLoS One; 2012 Feb 26; 7(3):e32036. PubMed ID: 22396746
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  • 30. 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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  • 32. Thermodynamics of buried water clusters at a protein-ligand binding interface.
    Li Z, Lazaridis T.
    J Phys Chem B; 2006 Jan 26; 110(3):1464-75. PubMed ID: 16471698
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  • 35. AquaMMapS: An Alternative Tool to Monitor the Role of Water Molecules During Protein-Ligand Association.
    Cuzzolin A, Deganutti G, Salmaso V, Sturlese M, Moro S.
    ChemMedChem; 2018 Mar 20; 13(6):522-531. PubMed ID: 29193885
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  • 38. The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to binding.
    Gregoriou M, Noble ME, Watson KA, Garman EF, Krulle TM, de la Fuente C, Fleet GW, Oikonomakos NG, Johnson LN.
    Protein Sci; 1998 Apr 20; 7(4):915-27. PubMed ID: 9568898
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  • 39. Testing inhomogeneous solvation theory in structure-based ligand discovery.
    Balius TE, Fischer M, Stein RM, Adler TB, Nguyen CN, Cruz A, Gilson MK, Kurtzman T, Shoichet BK.
    Proc Natl Acad Sci U S A; 2017 Aug 15; 114(33):E6839-E6846. PubMed ID: 28760952
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  • 40. 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
    [Abstract] [Full Text] [Related]

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