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Journal Abstract Search

767 related items for PubMed ID: 17554857

  • 1. Ranking poses in structure-based lead discovery and optimization: current trends in scoring function development.
    Rajamani R, Good AC.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):308-15. PubMed ID: 17554857
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  • 3. Physics-based methods for studying protein-ligand interactions.
    Huang N, Jacobson MP.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):325-31. PubMed ID: 17554859
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  • 4. Molecular modeling of hydration in drug design.
    Mancera RL.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):275-80. PubMed ID: 17554853
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  • 5. The use of protein-ligand interaction fingerprints in docking.
    Brewerton SC.
    Curr Opin Drug Discov Devel; 2008 May; 11(3):356-64. PubMed ID: 18428089
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  • 7. Virtual high-throughput screening of molecular databases.
    Seifert MH, Kraus J, Kramer B.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):298-307. PubMed ID: 17554856
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  • 9. Molecular optimization using computational multi-objective methods.
    Nicolaou CA, Brown N, Pattichis CS.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):316-24. PubMed ID: 17554858
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  • 11. FURSMASA: a new approach to rapid scoring functions that uses a MD-averaged potential energy grid and a solvent-accessible surface area term with parameters GA fit to experimental data.
    Pearlman DA, Rao BG, Charifson P.
    Proteins; 2008 May 15; 71(3):1519-38. PubMed ID: 18300249
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  • 12. In silico identification of bioisosteric functional groups.
    Ertl P.
    Curr Opin Drug Discov Devel; 2007 May 15; 10(3):281-8. PubMed ID: 17554854
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  • 14. Rescoring ligand docking poses.
    Zhong S, Zhang Y, Xiu Z.
    Curr Opin Drug Discov Devel; 2010 May 15; 13(3):326-34. PubMed ID: 20443166
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  • 15. E-novo: an automated workflow for efficient structure-based lead optimization.
    Pearce BC, Langley DR, Kang J, Huang H, Kulkarni A.
    J Chem Inf Model; 2009 Jul 15; 49(7):1797-809. PubMed ID: 19552372
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  • 16. Consensus scoring for protein-ligand interactions.
    Feher M.
    Drug Discov Today; 2006 May 15; 11(9-10):421-8. PubMed ID: 16635804
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  • 18. Importance of molecular computer modeling in anticancer drug development.
    Geromichalos GD.
    J BUON; 2007 Sep 15; 12 Suppl 1():S101-18. PubMed ID: 17935268
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  • 20. Physics-based scoring of protein-ligand interactions: explicit polarizability, quantum mechanics and free energies.
    Bryce RA.
    Future Med Chem; 2011 Apr 15; 3(6):683-98. PubMed ID: 21554075
    [Abstract] [Full Text] [Related]

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