Kathleen E. Rogers

Comparing Neural-Network Scoring Functions and the State of the Art: Applications to Common Library Screening

Jacob D. Durrant, Aaron J. Friedman, Kathleen E. Rogers et al. · Journal of Chemical Information and Modeling · 2013 · 53 citations · Full text

Drug Target, Engineering, Machine Learning +25

Novel Cruzain Inhibitors for the Treatment of Chagas’ Disease

Kathleen E. Rogers, Henrik Keränen, Jacob D. Durrant et al. · Chemical Biology & Drug Design · 2012 · 39 citations · Full text

Bioorganic Chemistry, Antiparasitic Agent, Pathology +19

On the Role of Dewetting Transitions in Host–Guest Binding Free Energy Calculations

Kathleen E. Rogers, Juan Manuel Ortiz‐Sánchez, Riccardo Baron et al. · Journal of Chemical Theory and Computation · 2012 · 30 citations · Full text

Allosteric Inhibition of Epac

Loren M. Brown, Kathleen E. Rogers, Nakon Aroonsakool et al. · Journal of Biological Chemistry · 2014 · 30 citations · Full text

Identification and Validation of Modulators of Exchange Protein Activated by cAMP (Epac) Activity

Loren M. Brown, Kathleen E. Rogers, J. Andrew McCammon et al. · Journal of Biological Chemistry · 2014 · 20 citations · Full text

Protein Secretion, Cellular Pharmacology, Chemical Biology +20