Andrew Smellie

14 papers Journal 13Unranked 1
YearRankTypeTitle / Venue / Authors
2009 J jnl
Compressed Binary Bit Trees: A New Data Structure For Accelerating Database Searching.
J. Chem. Inf. Model.
Andrew Smellie
2007 J jnl
General Purpose Interactive Physico-Chemical Property Exploration.
J. Chem. Inf. Model.
Andrew Smellie
2006 J jnl
Visualization and Interpretation of High Content Screening Data.
J. Chem. Inf. Model.
Andrew Smellie, Christopher J. Wilson, Shi Chung Ng
2005 J jnl
Surrogate docking: structure-based virtual screening at high throughput speed.
J. Comput. Aided Mol. Des.
Sukjoon Yoon, Andrew Smellie, David Hartsough, Anton V. Filikov
2004 J jnl
Accelerated K-Means Clustering in Metric Spaces.
J. Chem. Inf. Model.
Andrew Smellie
2003 J jnl
Conformational analysis by intersection: CONAN.
J. Comput. Chem.
Andrew Smellie, Robert V. Stanton, Randy Henne, Steven L. Teig
1996 J jnl
Identification of Common Functional Configurations Among Molecules.
J. Chem. Inf. Comput. Sci.
Doug Barnum, Jonathan Greene, Andrew Smellie, Peter Sprague
1995 J jnl
Analysis of Conformational Coverage, 1. Validation and Estimation of Coverage.
J. Chem. Inf. Comput. Sci.
Andrew Smellie, Scott D. Kahn, Steven L. Teig
1995 J jnl
Analysis of Conformational Coverage, 2. Applications of Conformational Models.
J. Chem. Inf. Comput. Sci.
Andrew Smellie, Scott D. Kahn, Steven L. Teig
1995 J jnl
Poling: Promoting Conformational Variation.
J. Comput. Chem.
Andrew Smellie, Steven L. Teig, Peter Towbin
1994 — conf
Knurls: effective 3D intra-molecular manipulation with a 2D device.
CHI Conference Companion
Scott D. Kahn, Gary A. Chappell, Andrew Smellie, Michael Shantz, Steven L. Teig
1992 J jnl
A combined model-building and distance-geometry approach to automated conformational analysis and search.
J. Chem. Inf. Comput. Sci.
Andrew R. Leach, Andrew Smellie
1991 J jnl
Fast drug-receptor mapping by site-directed distances: a novel method of predicting new pharmacological leads.
J. Chem. Inf. Comput. Sci.
Andrew Smellie, Gordon M. Crippen, W. Graham Richards
1988 J jnl
Use of augmented Lagrangians in the calculation of molecular conformations by distance geometry.
J. Chem. Inf. Comput. Sci.
Gordon M. Crippen, Andrew Smellie, Jeffrey W. Peng