Jorgensen WL - Search Results

1

Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase.

Lee WG, Frey KM, Gallardo-Macias R, Spasov KA, Chan AH, Anderson KS, Jorgensen WL. Lee WG, et al. Among authors: jorgensen wl. Bioorg Med Chem Lett. 2015 Nov 1;25(21):4824-4827. doi: 10.1016/j.bmcl.2015.06.074. Epub 2015 Jul 9. Bioorg Med Chem Lett. 2015. PMID: 26166629 Free PMC article.

2

Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method.

Smith RH Jr, Jorgensen WL, Tirado-Rives J, Lamb ML, Janssen PA, Michejda CJ, Kroeger Smith MB. Smith RH Jr, et al. Among authors: jorgensen wl. J Med Chem. 1998 Dec 17;41(26):5272-86. doi: 10.1021/jm9804174. J Med Chem. 1998. PMID: 9857095

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

Prediction of drug solubility from Monte Carlo simulations.

Jorgensen WL, Duffy EM. Jorgensen WL, et al. Bioorg Med Chem Lett. 2000 Jun 5;10(11):1155-8. doi: 10.1016/s0960-894x(00)00172-4. Bioorg Med Chem Lett. 2000. PMID: 10866370 Free article.

5

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.

6

Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations.

Rizzo RC, Tirado-Rives J, Jorgensen WL. Rizzo RC, et al. Among authors: jorgensen wl. J Med Chem. 2001 Jan 18;44(2):145-54. doi: 10.1021/jm000255n. J Med Chem. 2001. PMID: 11170624

7

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

8

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

9

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

10

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

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