Ivan Tubert-Brohman

Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring

William L. Jorgensen, Cristiano Ruch Werneck Guimarães, Gabriela Barreiro, 2007, J. Chem. Inf. Model..

Improved Docking of Polypeptides with Glide

Woody Sherman, Ivan Tubert-Brohman, Matthew P. Repasky, 2013, J. Chem. Inf. Model..

Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens

William L. Jorgensen, Cristiano Ruch Werneck Guimarães, Ivan Tubert-Brohman, 2004, J. Comput. Chem..

Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide

Richard A. Friesner, Sathesh Bhat, Ivan Tubert-Brohman, 2012, Journal of Computer-Aided Molecular Design.

Extension of the PDDG/PM3 Semiempirical Molecular Orbital Method to Sulfur, Silicon, and Phosphorus.

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

Molecular Mechanics Force Field for Octahedral Organometallic Compounds with Inclusion of the Trans Influence.

Markus Meuwly, Ivan Tubert-Brohman, M. Meuwly, 2009, Journal of chemical theory and computation.

NO-MNDO:  Reintroduction of the Overlap Matrix into MNDO.

William L. Jorgensen, Ivan Tubert-Brohman, W. L. Jorgensen, 2006, Journal of chemical theory and computation.

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.