Neighborhood-Based Prediction of Novel Active Compounds from SAR Matrices. - Disha Gupta-Ostermann; Veerabahu Shanmugasundaram; Jürgen Bajorath (J. Chem. Inf. Model., 2014)

Collaborating to improve the use of free-energy and other quantitative methods in drug discovery. - Bradley Sherborne; Veerabahu Shanmugasundaram; Alan C. Cheng; Clara D. Christ; Renee L. DesJarlais; José S. Duca; Richard A. Lewis; Deborah A. Loughney; Eric S. Manas; Georgia B. McGaughey; Catherine E. Peishoff; Herman van Vlijmen (J. Comput. Aided Mol. Des., 2016)

Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and Computation. - Shunzhou Wan; Agastya Bhati; Sarah Skerratt; Kiyoyuki Omoto; Veerabahu Shanmugasundaram; Sharan K. Bagal; Peter V. Coveney (J. Chem. Inf. Model., 2017)

Novel Methods for Prioritizing "Close-In" Analogs from Structure-Activity Relationship Matrices. - Liying Zhang; Kjell Johnson; Jeremy Starr; Jared Milbank; Andrew M. Kuhn; Christopher Poss; Robert V. Stanton; Veerabahu Shanmugasundaram (J. Chem. Inf. Model., 2017)

Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator. - Veerabahu Shanmugasundaram; Jürgen Bajorath; Ralph E. Christoffersen; James D. Petke; W. Jeffrey Howe; Mark A. Johnson; Dimitris K. Agrafiotis; Pil Lee; Leslie A. Kuhn; Jay T. Goodwin; M. Katharine Holloway; Thompson N. Doman; et al. (J. Comput. Aided Mol. Des., 2022)

On Ternary Complex Stability in Protein Degradation: In Silico Molecular Glue Binding Affinity Calculations. - Dahlia R. Weiss; Andrea Bortolato; Yongnian Sun; Xianmei Cai; Chon Lai; Sixuan Guo; Lihong Shi; Veerabahu Shanmugasundaram (J. Chem. Inf. Model., 2023)