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Journal Abstract Search


365 related items for PubMed ID: 15981257

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  • 7. Efficiency of a second-generation HIV-1 protease inhibitor studied by molecular dynamics and absolute binding free energy calculations.
    Lepsík M, Kríz Z, Havlas Z.
    Proteins; 2004 Nov 01; 57(2):279-93. PubMed ID: 15340915
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  • 14. Relation between sequence and structure of HIV-1 protease inhibitor complexes: a model system for the analysis of protein flexibility.
    Zoete V, Michielin O, Karplus M.
    J Mol Biol; 2002 Jan 04; 315(1):21-52. PubMed ID: 11771964
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  • 15. What determines the van der Waals coefficient beta in the LIE (linear interaction energy) method to estimate binding free energies using molecular dynamics simulations?
    Wang W, Wang J, Kollman PA.
    Proteins; 1999 Feb 15; 34(3):395-402. PubMed ID: 10024025
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  • 16. Empirical free energy calculations of human immunodeficiency virus type 1 protease crystallographic complexes. II. Knowledge-based ligand-protein interaction potentials applied to thermodynamic analysis of hydrophobic mutations.
    Verkhivker GM.
    Pac Symp Biocomput; 1996 Feb 15; ():638-52. PubMed ID: 9390264
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  • 17. How inaccuracies in protein structure models affect estimates of protein-ligand interactions: computational analysis of HIV-I protease inhibitor binding.
    Thorsteinsdottir HB, Schwede T, Zoete V, Meuwly M.
    Proteins; 2006 Nov 01; 65(2):407-23. PubMed ID: 16941468
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  • 18. Efficient evaluation of binding free energy using continuum electrostatics solvation.
    Huang D, Caflisch A.
    J Med Chem; 2004 Nov 04; 47(23):5791-7. PubMed ID: 15509178
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  • 19. Molecular dynamics and free energy studies on the wild-type and mutated HIV-1 protease complexed with four approved drugs: mechanism of binding and drug resistance.
    Alcaro S, Artese A, Ceccherini-Silberstein F, Ortuso F, Perno CF, Sing T, Svicher V.
    J Chem Inf Model; 2009 Jul 04; 49(7):1751-61. PubMed ID: 19537723
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  • 20. FACTS: Fast analytical continuum treatment of solvation.
    Haberthür U, Caflisch A.
    J Comput Chem; 2008 Apr 15; 29(5):701-15. PubMed ID: 17918282
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