Marina Udier-Blagović

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

Cristiano Ruch Werneck Guimarães, William L Jorgensen, W. L. Jorgensen, 2005, Journal of the American Chemical Society.

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

Julian Tirado-Rives, William L Jorgensen, W. L. Jorgensen, 2002, Journal of medicinal chemistry.

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

W. L. Jorgensen, K. Anderson, Marina Udier-Blagović, 2009, Bioorganic & medicinal chemistry letters.

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

Cristiano Ruch Werneck Guimarães, Ivan Tubert-Brohman, William L Jorgensen, 2005, Journal of chemical theory and computation.

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

Julian Tirado-Rives, William L Jorgensen, W. L. Jorgensen, 2003, Journal of the American Chemical Society.

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

W. L. Jorgensen, J. Tirado-Rives, Marina Udier-Blagović, 2003, Bioorganic & medicinal chemistry letters.

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

Julian Tirado-Rives, William L Jorgensen, W. L. Jorgensen, 2004, Journal of medicinal chemistry.