Andrew Smellie

According to our database, Andrew Smellie authored at least 14 papers between 1988 and 2009.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of five.

2009

Compressed Binary Bit Trees: A New Data Structure For Accelerating Database Searching.

Andrew Smellie

J. Chem. Inf. Model., 2009

2007

General Purpose Interactive Physico-Chemical Property Exploration.

Andrew Smellie

J. Chem. Inf. Model., 2007

2006

Visualization and Interpretation of High Content Screening Data.

Andrew Smellie, Christopher J. Wilson, Shi Chung Ng

J. Chem. Inf. Model., 2006

2005

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

2004

Accelerated K-Means Clustering in Metric Spaces.

Andrew Smellie

J. Chem. Inf. Model., 2004

2003

Conformational analysis by intersection: CONAN.

Andrew Smellie, Robert V. Stanton, Randy Henne, Steven L. Teig

J. Comput. Chem., 2003

1996

Identification of Common Functional Configurations Among Molecules.

Doug Barnum, Jonathan Greene, Andrew Smellie, Peter Sprague

J. Chem. Inf. Comput. Sci., 1996

1995

Analysis of Conformational Coverage, 2. Applications of Conformational Models.

Andrew Smellie, Scott D. Kahn, Steven L. Teig

J. Chem. Inf. Comput. Sci., 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

Poling: Promoting Conformational Variation.

Andrew Smellie, Steven L. Teig, Peter Towbin

J. Comput. Chem., 1995

1994

Knurls: effective 3D intra-molecular manipulation with a 2D device.

Scott D. Kahn, Gary A. Chappell, Andrew Smellie, Michael Shantz, Steven L. Teig

Proceedings of the Conference on Human Factors in Computing Systems, 1994

1992

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

1991

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

1988

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