A Cluster-Based Strategy for Assessing the Overlap between Large Chemical Libraries and Its Application to a Recent Acquisition. - Michael F. M. Engels; Alan C. Gibbs; Edward P. Jaeger; Danny Verbinnen; Victor S. Lobanov; Dimitris K. Agrafiotis (J. Chem. Inf. Model., 2006)

Conformational Sampling of Bioactive Molecules: A Comparative Study. - Dimitris K. Agrafiotis; Alan C. Gibbs; Fangqiang Zhu; Sergei Izrailev; Eric J. Martin (J. Chem. Inf. Model., 2007)

Quantum Mechanical Pairwise Decomposition Analysis of Protein Kinase B Inhibitors: Validating a New Tool for Guiding Drug Design. - Xiaohua Zhang; Alan C. Gibbs; Charles H. Reynolds; Martin B. Peters; Lance M. Westerhoff (J. Chem. Inf. Model., 2010)