Use of augmented Lagrangians in the calculation of molecular conformations by distance geometry. - Gordon M. Crippen; Andrew Smellie; Jeffrey W. Peng (J. Chem. Inf. Comput. Sci., 1988)

Fast drug-receptor mapping by site-directed distances: a novel method of predicting new pharmacological leads. - Andrew Smellie; Gordon M. Crippen; W. Graham Richards (J. Chem. Inf. Comput. Sci., 1991)

A combined model-building and distance-geometry approach to automated conformational analysis and search. - Andrew R. Leach; Andrew Smellie (J. Chem. Inf. Comput. Sci., 1992)

Knurls: effective 3D intra-molecular manipulation with a 2D device. - Scott D. Kahn; Gary A. Chappell; Andrew Smellie; Michael Shantz; Steven L. Teig (CHI Conference Companion, 1994)

Poling: Promoting Conformational Variation. - Andrew Smellie; Steven L. Teig; Peter Towbin (J. Comput. Chem., 1995)

Analysis of Conformational Coverage, 1. Validation and Estimation of Coverage. - Andrew Smellie; Scott D. Kahn; Steven L. Teig (J. Chem. Inf. Comput. Sci., 1995)

Analysis of Conformational Coverage, 2. Applications of Conformational Models. - Andrew Smellie; Scott D. Kahn; Steven L. Teig (J. Chem. Inf. Comput. Sci., 1995)

Identification of Common Functional Configurations Among Molecules. - Doug Barnum; Jonathan Greene; Andrew Smellie; Peter Sprague (J. Chem. Inf. Comput. Sci., 1996)

Conformational analysis by intersection: CONAN. - Andrew Smellie; Robert V. Stanton; Randy Henne; Steven L. Teig (J. Comput. Chem., 2003)

Accelerated K-Means Clustering in Metric Spaces. - Andrew Smellie (J. Chem. Inf. Model., 2004)

Surrogate docking: structure-based virtual screening at high throughput speed. - Sukjoon Yoon; Andrew Smellie; David Hartsough; Anton V. Filikov (J. Comput. Aided Mol. Des., 2005)

Visualization and Interpretation of High Content Screening Data. - Andrew Smellie; Christopher J. Wilson; Shi Chung Ng (J. Chem. Inf. Model., 2006)

General Purpose Interactive Physico-Chemical Property Exploration. - Andrew Smellie (J. Chem. Inf. Model., 2007)

Compressed Binary Bit Trees: A New Data Structure For Accelerating Database Searching. - Andrew Smellie (J. Chem. Inf. Model., 2009)