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Journal Abstract Search

256 related items for PubMed ID: 16098779

  • 21. Prediction of the binding energy for small molecules, peptides and proteins.
    Schapira M, Totrov M, Abagyan R.
    J Mol Recognit; 1999; 12(3):177-90. PubMed ID: 10398408
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  • 22. A new implicit solvent model for protein-ligand docking.
    Morreale A, Gil-Redondo R, Ortiz AR.
    Proteins; 2007 May 15; 67(3):606-16. PubMed ID: 17330937
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  • 23. Prediction of the binding free energies of new TIBO-like HIV-1 reverse transcriptase inhibitors using a combination of PROFEC, PB/SA, CMC/MD, and free energy calculations.
    Eriksson MA, Pitera J, Kollman PA.
    J Med Chem; 1999 Mar 11; 42(5):868-81. PubMed ID: 10072684
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  • 28. Charge optimization of the interface between protein kinases and their ligands.
    Sims PA, Wong CF, McCammon JA.
    J Comput Chem; 2004 Aug 11; 25(11):1416-29. PubMed ID: 15185335
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  • 31. Addressing limitations with the MM-GB/SA scoring procedure using the WaterMap method and free energy perturbation calculations.
    Guimarães CR, Mathiowetz AM.
    J Chem Inf Model; 2010 Apr 26; 50(4):547-59. PubMed ID: 20235592
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  • 33. Molecular mechanics methods for predicting protein-ligand binding.
    Huang N, Kalyanaraman C, Bernacki K, Jacobson MP.
    Phys Chem Chem Phys; 2006 Nov 28; 8(44):5166-77. PubMed ID: 17203140
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  • 34. Energetic decomposition with the generalized-born and Poisson-Boltzmann solvent models: lessons from association of G-protein components.
    Carrascal N, Green DF.
    J Phys Chem B; 2010 Apr 22; 114(15):5096-116. PubMed ID: 20355699
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  • 35. Calculation of absolute protein-ligand binding constants with the molecular dynamics free energy perturbation method.
    Woo HJ.
    Methods Mol Biol; 2008 Apr 22; 443():109-20. PubMed ID: 18446284
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  • 39. Molecular modeling of hydration in drug design.
    Mancera RL.
    Curr Opin Drug Discov Devel; 2007 May 22; 10(3):275-80. PubMed ID: 17554853
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