Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens. - Ivan Tubert-Brohman; Cristiano Ruch Werneck Guimarães; Matthew P. Repasky; William L. Jorgensen (J. Comput. Chem., 2004)

Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring. - Gabriela Barreiro; Cristiano Ruch Werneck Guimarães; Ivan Tubert-Brohman; Theresa M. Lyons; Julian Tirado-Rives; William L. Jorgensen (J. Chem. Inf. Model., 2007)

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. - Matthew P. Repasky; Robert B. Murphy; Jay L. Banks; Jeremy R. Greenwood; Ivan Tubert-Brohman; Sathesh Bhat; Richard A. Friesner (J. Comput. Aided Mol. Des., 2012)

Improved Docking of Polypeptides with Glide. - Ivan Tubert-Brohman; Woody Sherman; Matthew P. Repasky; Thijs Beuming (J. Chem. Inf. Model., 2013)

Reaction-Based Enumeration, Active Learning, and Free Energy Calculations To Rapidly Explore Synthetically Tractable Chemical Space and Optimize Potency of Cyclin-Dependent Kinase 2 Inhibitors. - Kyle D. Konze; Pieter H. Bos; Markus K. Dahlgren; Karl Leswing; Ivan Tubert-Brohman; Andrea Bortolato; Braxton Robbason; Robert Abel; Sathesh Bhat (J. Chem. Inf. Model., 2019)