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Journal Abstract Search

474 related items for PubMed ID: 18710212

  • 21. Suppression of HIV-1 protease inhibitor resistance by phosphonate-mediated solvent anchoring.
    Cihlar T, He GX, Liu X, Chen JM, Hatada M, Swaminathan S, McDermott MJ, Yang ZY, Mulato AS, Chen X, Leavitt SA, Stray KM, Lee WA.
    J Mol Biol; 2006 Oct 27; 363(3):635-47. PubMed ID: 16979654
    [Abstract] [Full Text] [Related]

  • 22. Incorporating protein flexibility in structure-based drug discovery: using HIV-1 protease as a test case.
    Meagher KL, Carlson HA.
    J Am Chem Soc; 2004 Oct 20; 126(41):13276-81. PubMed ID: 15479081
    [Abstract] [Full Text] [Related]

  • 23. Prediction of the binding energy for small molecules, peptides and proteins.
    Schapira M, Totrov M, Abagyan R.
    J Mol Recognit; 1999 Oct 20; 12(3):177-90. PubMed ID: 10398408
    [Abstract] [Full Text] [Related]

  • 24. Optimization and computational evaluation of a series of potential active site inhibitors of the V82F/I84V drug-resistant mutant of HIV-1 protease: an application of the relaxed complex method of structure-based drug design.
    Perryman AL, Lin JH, Andrew McCammon J.
    Chem Biol Drug Des; 2006 May 20; 67(5):336-45. PubMed ID: 16784458
    [Abstract] [Full Text] [Related]

  • 25. Analysis of HIV wild-type and mutant structures via in silico docking against diverse ligand libraries.
    Chang MW, Lindstrom W, Olson AJ, Belew RK.
    J Chem Inf Model; 2007 May 20; 47(3):1258-62. PubMed ID: 17447753
    [Abstract] [Full Text] [Related]

  • 26. Molecular dynamic and free energy studies of primary resistance mutations in HIV-1 protease-ritonavir complexes.
    Aruksakunwong O, Wolschann P, Hannongbua S, Sompornpisut P.
    J Chem Inf Model; 2006 May 20; 46(5):2085-92. PubMed ID: 16995739
    [Abstract] [Full Text] [Related]

  • 27. Drug design: new inhibitors for HIV-1 protease based on Nelfinavir as lead.
    Perez MA, Fernandes PA, Ramos MJ.
    J Mol Graph Model; 2007 Oct 20; 26(3):634-42. PubMed ID: 17459746
    [Abstract] [Full Text] [Related]

  • 28. Structure-based design of carbon nanotubes as HIV-1 protease inhibitors: atomistic and coarse-grained simulations.
    Cheng Y, Li D, Ji B, Shi X, Gao H.
    J Mol Graph Model; 2010 Sep 20; 29(2):171-7. PubMed ID: 20580296
    [Abstract] [Full Text] [Related]

  • 29. Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors.
    Ferrari AM, Degliesposti G, Sgobba M, Rastelli G.
    Bioorg Med Chem; 2007 Dec 15; 15(24):7865-77. PubMed ID: 17870536
    [Abstract] [Full Text] [Related]

  • 30. 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
    [Abstract] [Full Text] [Related]

  • 31. Structure-based ligand design by dynamically assembling molecular building blocks at binding site.
    Liu H, Duan Z, Luo Q, Shi Y.
    Proteins; 1999 Sep 01; 36(4):462-70. PubMed ID: 10450088
    [Abstract] [Full Text] [Related]

  • 32. Genotype dependent QSAR for HIV-1 protease inhibition.
    Boutton CW, De Bondt HL, De Jonge MR.
    J Med Chem; 2005 Mar 24; 48(6):2115-20. PubMed ID: 15771454
    [Abstract] [Full Text] [Related]

  • 33. Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants.
    Kozísek M, Bray J, Rezácová P, Sasková K, Brynda J, Pokorná J, Mammano F, Rulísek L, Konvalinka J.
    J Mol Biol; 2007 Dec 07; 374(4):1005-16. PubMed ID: 17977555
    [Abstract] [Full Text] [Related]

  • 34. Discovery of HIV-1 protease inhibitors with picomolar affinities incorporating N-aryl-oxazolidinone-5-carboxamides as novel P2 ligands.
    Ali A, Reddy GS, Cao H, Anjum SG, Nalam MN, Schiffer CA, Rana TM.
    J Med Chem; 2006 Dec 14; 49(25):7342-56. PubMed ID: 17149864
    [Abstract] [Full Text] [Related]

  • 35. Thermodynamic rules for the design of high affinity HIV-1 protease inhibitors with adaptability to mutations and high selectivity towards unwanted targets.
    Ohtaka H, Muzammil S, Schön A, Velazquez-Campoy A, Vega S, Freire E.
    Int J Biochem Cell Biol; 2004 Sep 14; 36(9):1787-99. PubMed ID: 15183345
    [Abstract] [Full Text] [Related]

  • 36. A semiempirical free energy force field with charge-based desolvation.
    Huey R, Morris GM, Olson AJ, Goodsell DS.
    J Comput Chem; 2007 Apr 30; 28(6):1145-52. PubMed ID: 17274016
    [Abstract] [Full Text] [Related]

  • 37. Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model.
    Wang W, Kollman PA.
    J Mol Biol; 2000 Nov 03; 303(4):567-82. PubMed ID: 11054292
    [Abstract] [Full Text] [Related]

  • 38. An approach to rapid estimation of relative binding affinities of enzyme inhibitors: application to peptidomimetic inhibitors of the human immunodeficiency virus type 1 protease.
    Viswanadhan VN, Reddy MR, Wlodawer A, Varney MD, Weinstein JN.
    J Med Chem; 1996 Feb 02; 39(3):705-12. PubMed ID: 8576913
    [Abstract] [Full Text] [Related]

  • 39.
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  • 40. Structural parameterization of the binding enthalpy of small ligands.
    Luque I, Freire E.
    Proteins; 2002 Nov 01; 49(2):181-90. PubMed ID: 12210999
    [Abstract] [Full Text] [Related]

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