Ivan Tubert‐Brohman

Improved Docking of Polypeptides with Glide

Ivan Tubert‐Brohman, Woody Sherman, Matt Repasky et al. · Journal of Chemical Information and Modeling · 2013 · 1.3K citations

Life Sciences, Bioinformatics, Biophysics +17

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 et al. · Journal of Computer-Aided Molecular Design · 2012 · 157 citations

Pharmacy, Bioinformatics, Performance-based Design +8

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 et al. · Journal of Chemical Information and Modeling · 2019 · 143 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

Construction of model Hamiltonians for adiabatic quantum computation and its application to finding low-energy conformations of lattice protein models

Alejandro Perdomo, C. J. S. Truncik, Ivan Tubert‐Brohman et al. · Physical Review A · 2008 · 127 citations · Full text

Life Sciences, Biochemistry, Chemistry +17

WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand–Receptor Docking

Robert B. Murphy, Matthew P. Repasky, Jeremy R. Greenwood et al. · Journal of Medicinal Chemistry · 2016 · 94 citations

Life Sciences, Biophysics, Medicinal Chemistry +17