Jorgensen WL - Search Results

1

Crystallographic and receptor binding characterization of Plasmodium falciparum macrophage migration inhibitory factor complexed to two potent inhibitors.

Pantouris G, Rajasekaran D, Baeza Garcia A, Ruiz VG, Leng L, Jorgensen WL, Bucala R, Lolis EJ. Pantouris G, et al. Among authors: jorgensen wl. J Med Chem. 2014 Oct 23;57(20):8652-6. doi: 10.1021/jm501168q. Epub 2014 Oct 8. J Med Chem. 2014. PMID: 25268646 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

Investigations of neurotrophic inhibitors of FK506 binding protein via Monte Carlo simulations.

Lamb ML, Jorgensen WL. Lamb ML, et al. Among authors: jorgensen wl. J Med Chem. 1998 Oct 8;41(21):3928-39. doi: 10.1021/jm980062o. J Med Chem. 1998. PMID: 9767630

4

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.

5

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

6

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

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

Prediction of activity for nonnucleoside inhibitors with HIV-1 reverse transcriptase based on Monte Carlo simulations.

Rizzo RC, Udier-Blagović M, Wang DP, Watkins EK, Kroeger Smith MB, Smith RH Jr, Tirado-Rives J, Jorgensen WL. Rizzo RC, et al. Among authors: jorgensen wl. J Med Chem. 2002 Jul 4;45(14):2970-87. doi: 10.1021/jm010580q. J Med Chem. 2002. PMID: 12086483

9

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

10

Structural and energetic analyses of the effects of the K103N mutation of HIV-1 reverse transcriptase on efavirenz analogues.

Udier-Blagović M, Tirado-Rives J, Jorgensen WL. Udier-Blagović M, et al. Among authors: jorgensen wl. J Med Chem. 2004 Apr 22;47(9):2389-92. doi: 10.1021/jm0303507. J Med Chem. 2004. PMID: 15084137

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