Jorgensen WL - Search Results

1

Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase.

Kumar VP, Cisneros JA, Frey KM, Castellanos-Gonzalez A, Wang Y, Gangjee A, White AC Jr, Jorgensen WL, Anderson KS. Kumar VP, et al. Among authors: jorgensen wl. Bioorg Med Chem Lett. 2014 Sep 1;24(17):4158-61. doi: 10.1016/j.bmcl.2014.07.049. Epub 2014 Jul 24. Bioorg Med Chem Lett. 2014. PMID: 25127103 Free PMC article.

2

Binding affinities for sulfonamide inhibitors with human thrombin using Monte Carlo simulations with a linear response method.

Jones-Hertzog DK, Jorgensen WL. Jones-Hertzog DK, et al. Among authors: jorgensen wl. J Med Chem. 1997 May 9;40(10):1539-49. doi: 10.1021/jm960684e. J Med Chem. 1997. PMID: 9154975

3

Estimation of the binding affinities of FKBP12 inhibitors using a linear response method.

Lamb ML, Tirado-Rives J, Jorgensen WL. Lamb ML, et al. Among authors: jorgensen wl. Bioorg Med Chem. 1999 May;7(5):851-60. doi: 10.1016/s0968-0896(99)00015-2. Bioorg Med Chem. 1999. PMID: 10400338 Free article.

4

Computational binding studies of human pp60c-src SH2 domain with a series of nonpeptide, phosphophenyl-containing ligands.

Price DJ, Jorgensen WL. Price DJ, et al. Among authors: jorgensen wl. Bioorg Med Chem Lett. 2000 Sep 18;10(18):2067-70. doi: 10.1016/s0960-894x(00)00401-7. Bioorg Med Chem Lett. 2000. PMID: 10999472 Free article.

5

Estimation of binding affinities for selective thrombin inhibitors via Monte Carlo simulations.

Pierce AC, Jorgensen WL. Pierce AC, et al. Among authors: jorgensen wl. J Med Chem. 2001 Mar 29;44(7):1043-50. doi: 10.1021/jm000405u. J Med Chem. 2001. PMID: 11297451

6

Rationale for the observed COX-2/COX-1 selectivity of celecoxib from Monte Carlo simulations.

Price ML, Jorgensen WL. Price ML, et al. Among authors: jorgensen wl. Bioorg Med Chem Lett. 2001 Jun 18;11(12):1541-4. doi: 10.1016/s0960-894x(00)00522-9. Bioorg Med Chem Lett. 2001. PMID: 11412976

7

Antiviral drug design: computational analyses of the effects of the L100I mutation for HIV-RT on the binding of NNRTIs.

Wang DP, Rizzo RC, Tirado-Rives J, Jorgensen WL. Wang DP, et al. Among authors: jorgensen wl. Bioorg Med Chem Lett. 2001 Nov 5;11(21):2799-802. doi: 10.1016/s0960-894x(01)00510-8. Bioorg Med Chem Lett. 2001. PMID: 11597403

8

Estimation of binding affinities for celecoxib analogues with COX-2 via Monte Carlo-extended linear response.

Wesolowski SS, Jorgensen WL. Wesolowski SS, et al. Among authors: jorgensen wl. Bioorg Med Chem Lett. 2002 Feb 11;12(3):267-70. doi: 10.1016/s0960-894x(01)00825-3. Bioorg Med Chem Lett. 2002. PMID: 11814774

9

Activity predictions for efavirenz analogues with the K103N mutant of HIV reverse transcriptase.

Udier-Blagović M, Watkins EK, Tirado-Rives J, Jorgensen WL. Udier-Blagović M, et al. Among authors: jorgensen wl. Bioorg Med Chem Lett. 2003 Oct 6;13(19):3337-40. doi: 10.1016/s0960-894x(03)00681-4. Bioorg Med Chem Lett. 2003. PMID: 12951121

10

Analyses of activity for factor Xa inhibitors based on Monte Carlo simulations.

Ostrovsky D, Udier-Blagović M, Jorgensen WL. Ostrovsky D, et al. Among authors: jorgensen wl. J Med Chem. 2003 Dec 18;46(26):5691-9. doi: 10.1021/jm030288d. J Med Chem. 2003. PMID: 14667222

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