Ivan Tubert-Brohman

According to our database, Ivan Tubert-Brohman authored at least 5 papers between 2004 and 2019.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2019

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

2013

Improved Docking of Polypeptides with Glide.

Ivan Tubert-Brohman, Woody Sherman, Matthew P. Repasky, Thijs Beuming

J. Chem. Inf. Model., 2013

2012

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

2007

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

2004

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