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Journal Abstract Search

649 related items for PubMed ID: 28182403

  • 1. Forging the Basis for Developing Protein-Ligand Interaction Scoring Functions.
    Liu Z, Su M, Han L, Liu J, Yang Q, Li Y, Wang R.
    Acc Chem Res; 2017 Feb 21; 50(2):302-309. PubMed ID: 28182403
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  • 2. Comparative assessment of scoring functions on an updated benchmark: 2. Evaluation methods and general results.
    Li Y, Han L, Liu Z, Wang R.
    J Chem Inf Model; 2014 Jun 23; 54(6):1717-36. PubMed ID: 24708446
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  • 6. Assessing protein-ligand interaction scoring functions with the CASF-2013 benchmark.
    Li Y, Su M, Liu Z, Li J, Liu J, Han L, Wang R.
    Nat Protoc; 2018 Apr 23; 13(4):666-680. PubMed ID: 29517771
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  • 7. Development of a new benchmark for assessing the scoring functions applicable to protein-protein interactions.
    Han L, Yang Q, Liu Z, Li Y, Wang R.
    Future Med Chem; 2018 Jul 01; 10(13):1555-1574. PubMed ID: 29953245
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  • 8. Machine learning in computational docking.
    Khamis MA, Gomaa W, Ahmed WF.
    Artif Intell Med; 2015 Mar 01; 63(3):135-52. PubMed ID: 25724101
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  • 9. Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power.
    Wang Z, Sun H, Yao X, Li D, Xu L, Li Y, Tian S, Hou T.
    Phys Chem Chem Phys; 2016 May 14; 18(18):12964-75. PubMed ID: 27108770
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  • 12. PDB-wide collection of binding data: current status of the PDBbind database.
    Liu Z, Li Y, Han L, Li J, Liu J, Zhao Z, Nie W, Liu Y, Wang R.
    Bioinformatics; 2015 Feb 01; 31(3):405-12. PubMed ID: 25301850
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  • 13. Boosted neural networks scoring functions for accurate ligand docking and ranking.
    Ashtawy HM, Mahapatra NR.
    J Bioinform Comput Biol; 2018 Apr 01; 16(2):1850004. PubMed ID: 29495922
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  • 15. Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints.
    Liu J, Su M, Liu Z, Li J, Li Y, Wang R.
    BMC Bioinformatics; 2017 Jul 18; 18(1):343. PubMed ID: 28720122
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  • 16. An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes.
    Wang R, Lu Y, Fang X, Wang S.
    J Chem Inf Comput Sci; 2004 Jul 18; 44(6):2114-25. PubMed ID: 15554682
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  • 17. A New, Improved Hybrid Scoring Function for Molecular Docking and Scoring Based on AutoDock and AutoDock Vina.
    Tanchuk VY, Tanin VO, Vovk AI, Poda G.
    Chem Biol Drug Des; 2016 Apr 18; 87(4):618-25. PubMed ID: 26643167
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  • 18. A comparative assessment of ranking accuracies of conventional and machine-learning-based scoring functions for protein-ligand binding affinity prediction.
    Ashtawy HM, Mahapatra NR.
    IEEE/ACM Trans Comput Biol Bioinform; 2012 Apr 18; 9(5):1301-13. PubMed ID: 22411892
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  • 19. Beware of machine learning-based scoring functions-on the danger of developing black boxes.
    Gabel J, Desaphy J, Rognan D.
    J Chem Inf Model; 2014 Oct 27; 54(10):2807-15. PubMed ID: 25207678
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