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Results: 1 to 20 of 30

1.

A solution NMR study of the binding kinetics and the internal dynamics of an HIV-1 protease-substrate complex.

Katoh E, Louis JM, Yamazaki T, Gronenborn AM, Torchia DA, Ishima R.

Protein Sci. 2003 Jul;12(7):1376-85.

PMID:
12824484
[PubMed - indexed for MEDLINE]
Free PMC Article
2.
3.

The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme.

Lin JH, Perryman AL, Schames JR, McCammon JA.

Biopolymers. 2003 Jan;68(1):47-62.

PMID:
12579579
[PubMed - indexed for MEDLINE]
4.

Human immunodeficiency virus reverse transcriptase and protease sequence database.

Rhee SY, Gonzales MJ, Kantor R, Betts BJ, Ravela J, Shafer RW.

Nucleic Acids Res. 2003 Jan 1;31(1):298-303.

PMID:
12520007
[PubMed - indexed for MEDLINE]
Free PMC Article
5.

Drug resistance in HIV-1 protease: Flexibility-assisted mechanism of compensatory mutations.

Piana S, Carloni P, Rothlisberger U.

Protein Sci. 2002 Oct;11(10):2393-402.

PMID:
12237461
[PubMed - indexed for MEDLINE]
Free PMC Article
6.

Antiretroviral-drug resistance among patients recently infected with HIV.

Little SJ, Holte S, Routy JP, Daar ES, Markowitz M, Collier AC, Koup RA, Mellors JW, Connick E, Conway B, Kilby M, Wang L, Whitcomb JM, Hellmann NS, Richman DD.

N Engl J Med. 2002 Aug 8;347(6):385-94.

PMID:
12167680
[PubMed - indexed for MEDLINE]
Free Article
7.

Overcoming drug resistance in HIV-1 chemotherapy: the binding thermodynamics of Amprenavir and TMC-126 to wild-type and drug-resistant mutants of the HIV-1 protease.

Ohtaka H, Velázquez-Campoy A, Xie D, Freire E.

Protein Sci. 2002 Aug;11(8):1908-16.

PMID:
12142445
[PubMed - indexed for MEDLINE]
Free PMC Article
8.

Role of conformational fluctuations in the enzymatic reaction of HIV-1 protease.

Piana S, Carloni P, Parrinello M.

J Mol Biol. 2002 May 31;319(2):567-83.

PMID:
12051929
[PubMed - indexed for MEDLINE]
9.

Combining mutations in HIV-1 protease to understand mechanisms of resistance.

Mahalingam B, Boross P, Wang YF, Louis JM, Fischer CC, Tozser J, Harrison RW, Weber IT.

Proteins. 2002 Jul 1;48(1):107-16.

PMID:
12012342
[PubMed - indexed for MEDLINE]
10.

Computational drug design accommodating receptor flexibility: the relaxed complex scheme.

Lin JH, Perryman AL, Schames JR, McCammon JA.

J Am Chem Soc. 2002 May 22;124(20):5632-3.

PMID:
12010024
[PubMed - indexed for MEDLINE]
11.

Anisotropic dynamics of the JE-2147-HIV protease complex: drug resistance and thermodynamic binding mode examined in a 1.09 A structure.

Reiling KK, Endres NF, Dauber DS, Craik CS, Stroud RM.

Biochemistry. 2002 Apr 9;41(14):4582-94.

PMID:
11926820
[PubMed - indexed for MEDLINE]
12.

Rapid structural fluctuations of the free HIV protease flaps in solution: relationship to crystal structures and comparison with predictions of dynamics calculations.

Freedberg DI, Ishima R, Jacob J, Wang YX, Kustanovich I, Louis JM, Torchia DA.

Protein Sci. 2002 Feb;11(2):221-32.

PMID:
11790832
[PubMed - indexed for MEDLINE]
Free PMC Article
13.

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 4;315(1):21-52.

PMID:
11771964
[PubMed - indexed for MEDLINE]
14.

Computational study of protein specificity: the molecular basis of HIV-1 protease drug resistance.

Wang W, Kollman PA.

Proc Natl Acad Sci U S A. 2001 Dec 18;98(26):14937-42.

PMID:
11752442
[PubMed - indexed for MEDLINE]
Free PMC Article
15.

Structural implications of drug-resistant mutants of HIV-1 protease: high-resolution crystal structures of the mutant protease/substrate analogue complexes.

Mahalingam B, Louis JM, Hung J, Harrison RW, Weber IT.

Proteins. 2001 Jun 1;43(4):455-64.

PMID:
11340661
[PubMed - indexed for MEDLINE]
16.

Curling of flap tips in HIV-1 protease as a mechanism for substrate entry and tolerance of drug resistance.

Scott WR, Schiffer CA.

Structure. 2000 Dec 15;8(12):1259-65.

PMID:
11188690
[PubMed - indexed for MEDLINE]
17.

How does a symmetric dimer recognize an asymmetric substrate? A substrate complex of HIV-1 protease.

Prabu-Jeyabalan M, Nalivaika E, Schiffer CA.

J Mol Biol. 2000 Sep 1;301(5):1207-20.

PMID:
10966816
[PubMed - indexed for MEDLINE]
18.

The Protein Data Bank.

Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE.

Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

PMID:
10592235
[PubMed - indexed for MEDLINE]
Free PMC Article
19.

Flap opening and dimer-interface flexibility in the free and inhibitor-bound HIV protease, and their implications for function.

Ishima R, Freedberg DI, Wang YX, Louis JM, Torchia DA.

Structure. 1999 Sep 15;7(9):1047-55.

PMID:
10508781
[PubMed - indexed for MEDLINE]
Free Article
20.

Improving macromolecular electrostatics calculations.

Nielsen JE, Andersen KV, Honig B, Hooft RW, Klebe G, Vriend G, Wade RC.

Protein Eng. 1999 Aug;12(8):657-62.

PMID:
10469826
[PubMed - indexed for MEDLINE]
Free Article

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