Udier-Blagović M - Search Results

1

Validation of a model for the complex of HIV-1 reverse transcriptase with nonnucleoside inhibitor TMC125.

Udier-Blagović M, Tirado-Rives J, Jorgensen WL. Udier-Blagović M, et al. J Am Chem Soc. 2003 May 21;125(20):6016-7. doi: 10.1021/ja034308c. J Am Chem Soc. 2003. PMID: 12785806

2

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: udier blagovic m. J Med Chem. 2002 Jul 4;45(14):2970-87. doi: 10.1021/jm010580q. J Med Chem. 2002. PMID: 12086483

3

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. 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

4

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. J Med Chem. 2004 Apr 22;47(9):2389-92. doi: 10.1021/jm0303507. J Med Chem. 2004. PMID: 15084137

5

Macrophomate synthase: QM/MM simulations address the Diels-Alder versus Michael-Aldol reaction mechanism.

Guimarães CR, Udier-Blagović M, Jorgensen WL. Guimarães CR, et al. Among authors: udier blagovic m. J Am Chem Soc. 2005 Mar 16;127(10):3577-88. doi: 10.1021/ja043905b. J Am Chem Soc. 2005. PMID: 15755179

6

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: udier blagovic m. J Med Chem. 2003 Dec 18;46(26):5691-9. doi: 10.1021/jm030288d. J Med Chem. 2003. PMID: 14667222

7

Accuracy of free energies of hydration using CM1 and CM3 atomic charges.

Udier-Blagović M, Morales De Tirado P, Pearlman SA, Jorgensen WL. Udier-Blagović M, et al. J Comput Chem. 2004 Aug;25(11):1322-32. doi: 10.1002/jcc.20059. J Comput Chem. 2004. PMID: 15185325

8

Novel non-active site inhibitor of Cryptosporidium hominis TS-DHFR identified by a virtual screen.

Martucci WE, Udier-Blagovic M, Atreya C, Babatunde O, Vargo MA, Jorgensen WL, Anderson KS. Martucci WE, et al. Among authors: udier blagovic m. Bioorg Med Chem Lett. 2009 Jan 15;19(2):418-23. doi: 10.1016/j.bmcl.2008.11.054. Epub 2008 Nov 20. Bioorg Med Chem Lett. 2009. PMID: 19059777 Free PMC article.

9

Effects of Arg90 Neutralization on the Enzyme-Catalyzed Rearrangement of Chorismate to Prephenate.

Guimarães CR, Udier-Blagović M, Tubert-Brohman I, Jorgensen WL. Guimarães CR, et al. Among authors: udier blagovic m. J Chem Theory Comput. 2005 Jul;1(4):617-25. doi: 10.1021/ct0500803. J Chem Theory Comput. 2005. PMID: 26641683

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