Gordon M. Crippen

According to our database, Gordon M. Crippen authored at least 27 papers between 1987 and 2015.

Collaborative distances:

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

2015

An alternative approach to distance geometry using L^∞ distances.

Gordon M. Crippen

Discret. Appl. Math., 2015

2013

Distance Geometry for Realistic Molecular Conformations.

Gordon M. Crippen

Proceedings of the Distance Geometry: Theory, Methods, and Applications, 2013

2009

Predicting p<i>K</i>_a.

Adam C. Lee, Gordon M. Crippen

J. Chem. Inf. Model., 2009

A statistical measure of association and a series expansion of chain conformations.

Gordon M. Crippen

Comput. Biol. Chem., 2009

2008

p<i>K</i>_a Prediction of Monoprotic Small Molecules the SMARTS Way.

Adam C. Lee, Jing-yu Yu, Gordon M. Crippen

J. Chem. Inf. Model., 2008

Data Mining the NCI60 to Predict Generalized Cytotoxicity.

Adam C. Lee, Kerby Shedden, Gustavo R. Rosania, Gordon M. Crippen

J. Chem. Inf. Model., 2008

2007

Chemical Data Mining of the NCI Human Tumor Cell Line Database.

Huijun Wang, Jonathan Klinginsmith, Xiao Dong, Adam C. Lee, Rajarshi Guha, Yuqing Wu, Gordon M. Crippen, David J. Wild

J. Chem. Inf. Model., 2007

2006

Fold Recognition via a Tree.

Yu Chen, Gordon M. Crippen

J. Comput. Biol., 2006

An iterative refinement algorithm for consistency based multiple structural alignment methods.

Yu Chen, Gordon M. Crippen

Bioinform., 2006

2004

Use of Classification Regression Tree in Predicting Oral Absorption in Humans.

Jane P. F. Bai, Andrey Utis, Gordon M. Crippen, Han-Dan He, Volker Fischer, Robert Tullman, He-Qun Yin, Cheng-Pang Hsu, Lan Jiang, Kin-Kai Hwang

J. Chem. Inf. Model., 2004

Cluster distance geometry of polypeptide chains.

Gordon M. Crippen

J. Comput. Chem., 2004

2003

Validation of DAPPER for 3D QSAR: Conformational Search and Chirality Metric.

Scott A. Wildman, Gordon M. Crippen

J. Chem. Inf. Comput. Sci., 2003

2001

Evaluation of Ligand Overlap by Atomic Parameters.

Scott A. Wildman, Gordon M. Crippen

J. Chem. Inf. Comput. Sci., 2001

2000

Potential Energy Function for Continuous State Models of Globular Proteins.

Y. Zenmei Ohkubo, Gordon M. Crippen

J. Comput. Biol., 2000

Determining contact energy function for continuous state models of globular protein conformations.

Y. Zenmei Ohkubo, Gordon M. Crippen

Proceedings of the Fourth Annual International Conference on Computational Molecular Biology, 2000

1999

Prediction of Physicochemical Parameters by Atomic Contributions.

Scott A. Wildman, Gordon M. Crippen

J. Chem. Inf. Comput. Sci., 1999

VRI: 3D QSAR at variable resolution.

Gordon M. Crippen

J. Comput. Chem., 1999

A solvation potential with improved contact definitions and optimized by extensive threading.

Alan A. Dombkowski, Gordon M. Crippen

Proceedings of the Third Annual International Conference on Research in Computational Molecular Biology, 1999

1998

The measurement of molecular diversity by receptor site interaction simulation.

Camden A. Parks, Gordon M. Crippen, John G. Topliss

J. Comput. Aided Mol. Des., 1998

1997

Objective models for steroid binding sites of human globulins.

Jurgen Schnitker, Ramesh Gopalaswamy, Gordon M. Crippen

J. Comput. Aided Mol. Des., 1997

1995

Intervals and the Deduction of Drug Binding Site Models.

Gordon M. Crippen

J. Comput. Chem., 1995

Protein folding potential functions.

Gordon M. Crippen

Proceedings of the 28th Annual Hawaii International Conference on System Sciences (HICSS-28), 1995

1993

Deducing molecular similarity using Voronoi binding sites.

Mary P. Bradley, Wendy Richardson, Gordon M. Crippen

J. Chem. Inf. Comput. Sci., 1993

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

1990

Global energy minimization by rotational energy embedding.

Gordon M. Crippen, Timothy F. Havel

J. Chem. Inf. Comput. Sci., 1990

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

1987

Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions.

Arup K. Ghose, Gordon M. Crippen

J. Chem. Inf. Comput. Sci., 1987