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Items: 1 to 20 of 174

1.

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-Jun;47(3):1258-62. Epub 2007 Apr 21.

PMID:
17447753
4.

Automated molecular simulation based binding affinity calculator for ligand-bound HIV-1 proteases.

Sadiq SK, Wright D, Watson SJ, Zasada SJ, Stoica I, Coveney PV.

J Chem Inf Model. 2008 Sep;48(9):1909-19. doi: 10.1021/ci8000937. Epub 2008 Aug 19.

PMID:
18710212
5.

Improved structure-activity relationship analysis of HIV-1 protease inhibitors using interaction kinetic data.

Shuman CF, Vrang L, Danielson UH.

J Med Chem. 2004 Nov 18;47(24):5953-61.

PMID:
15537350
6.
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Comparative studies on inhibitors of HIV protease: a target for drug design.

Jayaraman S, Shah K.

In Silico Biol. 2008;8(5-6):427-47.

PMID:
19374129
9.

A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.

Perola E, Walters WP, Charifson PS.

Proteins. 2004 Aug 1;56(2):235-49.

PMID:
15211508
10.

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.

PMID:
17149864
11.

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.

PMID:
15479081
13.

Parallel screening and activity profiling with HIV protease inhibitor pharmacophore models.

Steindl TM, Schuster D, Laggner C, Chuang K, Hoffmann RD, Langer T.

J Chem Inf Model. 2007 Mar-Apr;47(2):563-71.

PMID:
17381173
14.

Small-molecule dimerization inhibitors of wild-type and mutant HIV protease: a focused library approach.

Shultz MD, Ham YW, Lee SG, Davis DA, Brown C, Chmielewski J.

J Am Chem Soc. 2004 Aug 18;126(32):9886-7.

PMID:
15303839
15.

The binding energetics of first- and second-generation HIV-1 protease inhibitors: implications for drug design.

Velazquez-Campoy A, Kiso Y, Freire E.

Arch Biochem Biophys. 2001 Jun 15;390(2):169-75.

PMID:
11396919
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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 7;374(4):1005-16. Epub 2007 Oct 3.

PMID:
17977555
20.

Combinatorial design of nonsymmetrical cyclic urea inhibitors of aspartic protease of HIV-1.

Frecer V, Burello E, Miertus S.

Bioorg Med Chem. 2005 Sep 15;13(18):5492-501.

PMID:
16054372

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