Gordon M. Crippen - researchr alias

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Viewing Publication 1 - 28 from 28

2015

∞ distancesGordon M. Crippen. DAM, 197:20-26, 2015. [doi]

2013

Distance Geometry for Realistic Molecular ConformationsGordon M. Crippen. In Antonio Mucherino, Carlile Lavor, Leo Liberti, Nelson Maculan, editors, Distance Geometry: Theory, Methods, and Applications. pages 315-328, Springer, 2013. [doi]

2009

A statistical measure of association and a series expansion of chain conformationsGordon M. Crippen. CANDC, 33(5):357-360, 2009. [doi]

aAdam C. Lee, Gordon M. Crippen. jcisd, 49(9):2013-2033, 2009. [doi]

2008

Data Mining the NCI60 to Predict Generalized CytotoxicityAdam C. Lee, Kerby Shedden, Gustavo R. Rosania, Gordon M. Crippen. jcisd, 48(7):1379-1388, 2008. [doi]

a Prediction of Monoprotic Small Molecules the SMARTS WayAdam C. Lee, Jing-yu Yu, Gordon M. Crippen. jcisd, 48(10):2042-2053, 2008. [doi]

2007

Chemical Data Mining of the NCI Human Tumor Cell Line DatabaseHuijun Wang, Jonathan Klinginsmith, Xiao Dong, Adam C. Lee, Rajarshi Guha, Yuqing Wu, Gordon M. Crippen, David J. Wild. jcisd, 47(6):2063-2076, 2007. [doi]

2006

An iterative refinement algorithm for consistency based multiple structural alignment methodsYu Chen, Gordon M. Crippen. bioinformatics, 22(17):2087-2093, 2006. [doi]

Fold Recognition via a TreeYu Chen, Gordon M. Crippen. jcb, 13(9):1565-1573, 2006. [doi]

2004

Use of Classification Regression Tree in Predicting Oral Absorption in HumansJane 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. jcisd, 44(6):2061-2069, 2004. [doi]

Cluster distance geometry of polypeptide chainsGordon M. Crippen. jcc, 25(10):1305-1312, 2004. [doi]

2003

Validation of DAPPER for 3D QSAR: Conformational Search and Chirality MetricScott A. Wildman, Gordon M. Crippen. jcisd, 43(2):629-636, 2003. [doi]

2001

Evaluation of Ligand Overlap by Atomic ParametersScott A. Wildman, Gordon M. Crippen. jcisd, 41(3):446-450, 2001. [doi]

2000

Potential Energy Function for Continuous State Models of Globular ProteinsY. Zenmei Ohkubo, Gordon M. Crippen. jcb, 7(3-4):363-379, 2000.

Determining contact energy function for continuous state models of globular protein conformationsY. Zenmei Ohkubo, Gordon M. Crippen. recomb 2000: 223-230 [doi]

1999

VRI: 3D QSAR at variable resolutionGordon M. Crippen. jcc, 20(14):1577-1585, 1999. [doi]

A solvation potential with improved contact definitions and optimized by extensive threadingAlan A. Dombkowski, Gordon M. Crippen. recomb 1999: 145-153 [doi]

Prediction of Physicochemical Parameters by Atomic ContributionsScott A. Wildman, Gordon M. Crippen. jcisd, 39(5):868-873, 1999. [doi]

1998

The measurement of molecular diversity by receptor site interaction simulationCamden A. Parks, Gordon M. Crippen, John G. Topliss. jcamd, 12(5):441-449, 1998. [doi]

1997

Objective models for steroid binding sites of human globulinsJurgen Schnitker, Ramesh Gopalaswamy, Gordon M. Crippen. jcamd, 11(1):93-110, 1997. [doi]

1995

Intervals and the Deduction of Drug Binding Site ModelsGordon M. Crippen. jcc, 16(4):486-500, 1995.

Intervals and the deduction of drug binding site modelsGordon M. Crippen. hicss 1995: 246-255 [doi]

Protein folding potential functionsGordon M. Crippen. hicss 1995: 319-324 [doi]

1993

Deducing molecular similarity using Voronoi binding sitesMary P. Bradley, Wendy Richardson, Gordon M. Crippen. jcisd, 33(5):750-755, 1993. [doi]

1991

Fast drug-receptor mapping by site-directed distances: a novel method of predicting new pharmacological leadsAndrew Smellie, Gordon M. Crippen, W. Graham Richards. jcisd, 31(3):386-392, 1991. [doi]

1990

Global energy minimization by rotational energy embeddingGordon M. Crippen, Timothy F. Havel. jcisd, 30(3):222-227, 1990. [doi]

1988

Use of augmented Lagrangians in the calculation of molecular conformations by distance geometryGordon M. Crippen, Andrew Smellie, Jeffrey W. Peng. jcisd, 28(3):125-128, 1988. [doi]

1987

Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactionsArup K. Ghose, Gordon M. Crippen. jcisd, 27(1):21-35, 1987. [doi]

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