Andrew Smellie

Publication Activity (10 Years)

Years Active: 1988-2009
Publications (10 Years): 0

Publications

Andrew Smellie
Compressed Binary Bit Trees: A New Data Structure For Accelerating Database Searching. J. Chem. Inf. Model. 49 (2) (2009)
Andrew Smellie
General Purpose Interactive Physico-Chemical Property Exploration. J. Chem. Inf. Model. 47 (3) (2007)
Andrew Smellie, Christopher J. Wilson, Shi Chung Ng
Visualization and Interpretation of High Content Screening Data. J. Chem. Inf. Model. 46 (1) (2006)
Sukjoon Yoon, Andrew Smellie, David Hartsough, Anton V. Filikov
Surrogate docking: structure-based virtual screening at high throughput speed. J. Comput. Aided Mol. Des. 19 (7) (2005)
Andrew Smellie
Accelerated K-Means Clustering in Metric Spaces. J. Chem. Inf. Model. 44 (6) (2004)
Andrew Smellie, Robert V. Stanton, Randy Henne, Steven L. Teig
Conformational analysis by intersection: CONAN. J. Comput. Chem. 24 (1) (2003)
Doug Barnum, Jonathan Greene, Andrew Smellie, Peter Sprague
Identification of Common Functional Configurations Among Molecules. J. Chem. Inf. Comput. Sci. 36 (3) (1996)
Andrew Smellie, Scott D. Kahn, Steven L. Teig
Analysis of Conformational Coverage, 2. Applications of Conformational Models. J. Chem. Inf. Comput. Sci. 35 (2) (1995)
Andrew Smellie, Scott D. Kahn, Steven L. Teig
Analysis of Conformational Coverage, 1. Validation and Estimation of Coverage. J. Chem. Inf. Comput. Sci. 35 (2) (1995)
Andrew Smellie, Steven L. Teig, Peter Towbin
Poling: Promoting Conformational Variation. J. Comput. Chem. 16 (2) (1995)
Scott D. Kahn, Gary A. Chappell, Andrew Smellie, Michael Shantz, Steven L. Teig
Knurls: effective 3D intra-molecular manipulation with a 2D device. CHI Conference Companion (1994)
Andrew R. Leach, Andrew Smellie
A combined model-building and distance-geometry approach to automated conformational analysis and search. J. Chem. Inf. Comput. Sci. 32 (4) (1992)
Andrew Smellie, Gordon M. Crippen, W. Graham Richards
Fast drug-receptor mapping by site-directed distances: a novel method of predicting new pharmacological leads. J. Chem. Inf. Comput. Sci. 31 (3) (1991)
Gordon M. Crippen, Andrew Smellie, Jeffrey W. Peng
Use of augmented Lagrangians in the calculation of molecular conformations by distance geometry. J. Chem. Inf. Comput. Sci. 28 (3) (1988)