CONFIRM: connecting fragments found in receptor molecules. - David C. Thompson 002; Rajiah Aldrin Denny; Ramaswamy Nilakantan; Christine Humblet; Diane Joseph-McCarthy; Eric Feyfant (J. Comput. Aided Mol. Des., 2008)

Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stability. - Yongbo Hu; Raymond J. Unwalla; Rajiah Aldrin Denny; Jack Bikker; Li Di; Christine Humblet (J. Comput. Aided Mol. Des., 2010)

Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches. - Kristi Yi Fan; Raymond J. Unwalla; Rajiah Aldrin Denny; Li Di; Edward H. Kerns; David J. Diller; Christine Humblet (J. Chem. Inf. Model., 2010)

Computational Modeling of β-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches. - Govindan Subramanian; Bharath Ramsundar; Vijay S. Pande; Rajiah Aldrin Denny (J. Chem. Inf. Model., 2016)

Estimation of relative free energies of binding using pre-computed ensembles based on the single-step free energy perturbation and the site-identification by Ligand competitive saturation approaches. - E. Prabhu Raman; Sirish Kaushik Lakkaraju; Rajiah Aldrin Denny; Alexander D. MacKerell Jr. (J. Comput. Chem., 2017)

AI-Based Protein Structure Prediction in Drug Discovery: Impacts and Challenges. - Michael Schauperl; Rajiah Aldrin Denny (J. Chem. Inf. Model., 2022)