Publications by authors named "Gordon Crippen"

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Purely in silico BCS classification: science based quality standards for the world's drugs.
Arik Dahan, Omri Wolk, Young Hoon Kim, Chandrasekharan Ramachandran, Gordon M Crippen

Mol Pharm· November 2013

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SAGA: rapid automatic mainchain NMR assignment for large proteins.
Gordon M Crippen, Aikaterini Rousaki, Matthew Revington, Yongbo Zhang, Erik R P Zuiderweg

J Biomol NMR· April 2010

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

Comput Biol Chem· October 2009

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Predicting pKa.
Adam C Lee, Gordon M Crippen

J Chem Inf Model· September 2009

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pKa prediction of monoprotic small molecules the SMARTS way.
Adam C Lee, Jing-Yu Yu, Gordon M Crippen

J Chem Inf Model· October 2008

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Data mining the NCI60 to predict generalized cytotoxicity.
Adam C Lee, Kerby Shedden, Gustavo R Rosania, Gordon M Crippen

J Chem Inf Model· July 2008

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Chemical data mining of the NCI human tumor cell line database.
Huijun Wang, Jonathan Klinginsmith, Xiao Dong, Adam C Lee, Rajarshi Guha, Gordon M Crippen

J Chem Inf Model· February 2008

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A cheminformatic toolkit for mining biomedical knowledge.
Gus R Rosania, Gordon Crippen, Peter Woolf, David States, Kerby Shedden

Pharm Res· October 2007

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Fold recognition via a tree.
Yu Chen, Gordon M Crippen

J Comput Biol· November 2006

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An iterative refinement algorithm for consistency based multiple structural alignment methods.
Yu Chen, Gordon M Crippen

Bioinformatics· September 2006

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A novel approach to structural alignment using realistic structural and environmental information.
Yu Chen, Gordon M Crippen

Protein Sci· December 2005

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CASA: an efficient automated assignment of protein mainchain NMR data using an ordered tree search algorithm.
Jianyong Wang, Tianzhi Wang, Erik R P Zuiderweg, Gordon M Crippen

J Biomol NMR· December 2005

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Use of classification regression tree in predicting oral absorption in humans.
Jane P F Bai, Andrey Utis, Gordon Crippen, Han-Dan He, Volker Fischer

J Chem Inf Comput Sci· November 2005

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Structure and specificity of a human valacyclovir activating enzyme: a homology model of BPHL.
Insook Kim, Gordon M Crippen, Gordon L Amidon

Mol Pharm· September 2005

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Recognizing protein folds by cluster distance geometry.
Gordon M Crippen

Proteins· July 2005

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Statistical mechanics of protein folding by cluster distance geometry.
Gordon M Crippen

Biopolymers· October 2004

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Cluster distance geometry of polypeptide chains.
Gordon M Crippen

J Comput Chem· July 2004

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How to describe chirality and conformational flexibility.
Gordon M Crippen

Methods Mol Biol· July 2004

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Statistical mechanics of protein folding with separable energy functions.
Jianyong Wang, Gordon M Crippen

Biopolymers· June 2004

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Validation of DAPPER for 3D QSAR: conformational search and chirality metric.
Scott A Wildman, Gordon M Crippen

J Chem Inf Comput Sci· June 2003

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Three-dimensional molecular descriptors and a novel QSAR method.
Scott A Wildman, Gordon M Crippen

J Mol Graph Model· December 2002

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A protein folding potential that places the native states of a large number of proteins near a local minimum.
Mukesh Chhajer, Gordon M Crippen

BMC Struct Biol· August 2002

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