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Journal Abstract Search

134 related items for PubMed ID: 31730345

  • 1. How Significant Are Unusual Protein-Ligand Interactions? Insights from Database Mining.
    Kuhn B, Gilberg E, Taylor R, Cole J, Korb O.
    J Med Chem; 2019 Nov 27; 62(22):10441-10455. PubMed ID: 31730345
    [Abstract] [Full Text] [Related]

  • 2. Halogens in Protein-Ligand Binding Mechanism: A Structural Perspective.
    Shinada NK, de Brevern AG, Schmidtke P.
    J Med Chem; 2019 Nov 14; 62(21):9341-9356. PubMed ID: 31117513
    [Abstract] [Full Text] [Related]

  • 3. Do Halogen-Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand-Protein Binding?
    Lin FY, MacKerell AD.
    J Phys Chem B; 2017 Jul 20; 121(28):6813-6821. PubMed ID: 28657759
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  • 4. Discovering protein-ligand chalcogen bonding in the protein data bank using endocyclic sulfur-containing heterocycles as ligand search subsets.
    Mitchell MO.
    J Mol Model; 2017 Sep 24; 23(10):287. PubMed ID: 28942498
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  • 5. Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design.
    Lu Y, Wang Y, Zhu W.
    Phys Chem Chem Phys; 2010 May 14; 12(18):4543-51. PubMed ID: 20428531
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  • 6. Strong and weak hydrogen bonds in the protein-ligand interface.
    Panigrahi SK, Desiraju GR.
    Proteins; 2007 Apr 01; 67(1):128-141. PubMed ID: 17206656
    [Abstract] [Full Text] [Related]

  • 7. Evaluating the potential of halogen bonding in molecular design: automated scaffold decoration using the new scoring function XBScore.
    Zimmermann MO, Lange A, Boeckler FM.
    J Chem Inf Model; 2015 Mar 23; 55(3):687-99. PubMed ID: 25654403
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  • 8. Halogen bonding for rational drug design and new drug discovery.
    Lu Y, Liu Y, Xu Z, Li H, Liu H, Zhu W.
    Expert Opin Drug Discov; 2012 May 23; 7(5):375-83. PubMed ID: 22462734
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  • 10. Halogenated ligands and their interactions with amino acids: implications for structure-activity and structure-toxicity relationships.
    Kortagere S, Ekins S, Welsh WJ.
    J Mol Graph Model; 2008 Sep 23; 27(2):170-7. PubMed ID: 18524655
    [Abstract] [Full Text] [Related]

  • 11. C-X...H contacts in biomolecular systems: how they contribute to protein-ligand binding affinity.
    Lu Y, Wang Y, Xu Z, Yan X, Luo X, Jiang H, Zhu W.
    J Phys Chem B; 2009 Sep 17; 113(37):12615-21. PubMed ID: 19708644
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  • 12. Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery.
    Zimmermann MO, Lange A, Wilcken R, Cieslik MB, Exner TE, Joerger AC, Koch P, Boeckler FM.
    Future Med Chem; 2014 Apr 17; 6(6):617-39. PubMed ID: 24895892
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  • 13. Replacement of Protein Binding-Site Waters Contributes to Favorable Halogen Bond Interactions.
    Wang Y, Fu Q, Zhou Y, Du Y, Huang N.
    J Chem Inf Model; 2019 Jul 22; 59(7):3136-3143. PubMed ID: 31187992
    [Abstract] [Full Text] [Related]

  • 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. Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design.
    Costa PJ, Nunes R, Vila-Viçosa D.
    Expert Opin Drug Discov; 2019 Aug 15; 14(8):805-820. PubMed ID: 31131651
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  • 19. A survey of the role of nitrile groups in protein-ligand interactions.
    Wang Y, Du Y, Huang N.
    Future Med Chem; 2018 Dec 15; 10(23):2713-2728. PubMed ID: 30518255
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  • 20. KLIFS: a knowledge-based structural database to navigate kinase-ligand interaction space.
    van Linden OP, Kooistra AJ, Leurs R, de Esch IJ, de Graaf C.
    J Med Chem; 2014 Jan 23; 57(2):249-77. PubMed ID: 23941661
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