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Predicting pKa

Journal of chemical information and modeling, 2009-09, Vol.49 (9), p.2013-2033

2009

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Purely in Silico BCS Classification: Science Based Quality Standards for the World’s Drugs

Molecular pharmaceutics, 2013-11, Vol.10 (11), p.4378-4390

2013

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Chirality Descriptors in QSAR

Current computer-aided drug design, 2008-12, Vol.4 (4), p.259-264

Crippen, Gordon

2008

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Prediction of Physicochemical Parameters by Atomic Contributions

Journal of Chemical Information and Computer Sciences, 1999-09, Vol.39 (5), p.868-873

1999

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pK a Prediction of Monoprotic Small Molecules the SMARTS Way

Journal of Chemical Information and Modeling, 2008-10, Vol.48 (10), p.2042-2053

2008

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pKa Prediction of Monoprotic Small Molecules the SMARTS Way

Journal of Chemical Information and Modeling, 2008-10, Vol.48 (10), p.2042-2053

2008

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Data Mining the NCI60 to Predict Generalized Cytotoxicity

Journal of Chemical Information and Modeling, 2008-07, Vol.48 (7), p.1379-1388

2008

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SAGA: rapid automatic mainchain NMR assignment for large proteins

Journal of biomolecular NMR, 2010-04, Vol.46 (4), p.281-298

2010

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A novel approach to structural alignment using realistic structural and environmental information

Protein science, 2005-12, Vol.14 (12), p.2935-2946

2005

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

Computational biology and chemistry, 2009-10, Vol.33 (5), p.357-360

Crippen, Gordon M.

2009

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An iterative refinement algorithm for consistency based multiple structural alignment methods

Bioinformatics, 2006-09, Vol.22 (17), p.2087-2093

2006

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Chemical Data Mining of the NCI Human Tumor Cell Line Database

Journal of chemical information and modeling, 2007-11, Vol.47 (6), p.2063-2076

2007

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Recognizing protein folds by cluster distance geometry

Proteins, structure, function, and bioinformatics, 2005-07, Vol.60 (1), p.82-89

Crippen, Gordon M.

2005

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An alternative approach to distance geometry using L∞ distances

Discrete Applied Mathematics, 2015-12, Vol.197, p.20-26

Crippen, Gordon M.

2015

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Fold recognition via a tree

Journal of computational biology, 2006-11, Vol.13 (9), p.1565-1573

2006

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Structure and Specificity of a Human Valacyclovir Activating Enzyme: A Homology Model of BPHL

Molecular pharmaceutics, 2004-11, Vol.1 (6), p.434-446

2004

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Significance of Root-Mean-Square Deviation in Comparing Three-dimensional Structures of Globular Proteins

Journal of molecular biology, 1994, Vol.235 (2), p.625-634

1994

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Statistical mechanics of protein folding by cluster distance geometry

Biopolymers, 2004-10, Vol.75 (3), p.278-289

Crippen, Gordon M.

2004

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Use of Classification Regression Tree in Predicting Oral Absorption in Humans

Journal of Chemical Information and Computer Sciences, 2004-11, Vol.44 (6), p.2061-2069

2004

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Cluster distance geometry of polypeptide chains

Journal of computational chemistry, 2004-07, Vol.25 (10), p.1305-1312

Crippen, Gordon M.

2004

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How to describe chirality and conformational flexibility

Methods in molecular biology (Clifton, N.J.), 2004, Vol.275, p.427

Crippen, Gordon M

2004

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CASA: an efficient automated assignment of protein mainchain NMR data using an ordered tree search algorithm

Journal of biomolecular NMR, 2005-12, Vol.33 (4), p.261-279

2005

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A protein folding potential that places the native states of a large number of proteins near a local minimum

BMC structural biology, 2002-08, Vol.2 (1), p.4-4, Article 4

2002

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Statistical mechanics of protein folding with separable energy functions

Biopolymers, 2004-06, Vol.74 (3), p.214-220

2004

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Prediction of protein folding from amino acid sequence over discrete conformation spaces

Biochemistry (Easton), 1991-04, Vol.30 (17), p.4232-4237

Crippen, Gordon M

1991

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Predicting pKa

Purely in Silico BCS Classification: Science Based Quality Standards for the World’s Drugs

Chirality Descriptors in QSAR

Prediction of Physicochemical Parameters by Atomic Contributions

pK a Prediction of Monoprotic Small Molecules the SMARTS Way

pKa Prediction of Monoprotic Small Molecules the SMARTS Way

Data Mining the NCI60 to Predict Generalized Cytotoxicity

SAGA: rapid automatic mainchain NMR assignment for large proteins

A novel approach to structural alignment using realistic structural and environmental information

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

An iterative refinement algorithm for consistency based multiple structural alignment methods

Chemical Data Mining of the NCI Human Tumor Cell Line Database

Recognizing protein folds by cluster distance geometry

An alternative approach to distance geometry using L∞ distances

Fold recognition via a tree

Structure and Specificity of a Human Valacyclovir Activating Enzyme: A Homology Model of BPHL

Significance of Root-Mean-Square Deviation in Comparing Three-dimensional Structures of Globular Proteins

Statistical mechanics of protein folding by cluster distance geometry

Use of Classification Regression Tree in Predicting Oral Absorption in Humans

Cluster distance geometry of polypeptide chains

How to describe chirality and conformational flexibility

CASA: an efficient automated assignment of protein mainchain NMR data using an ordered tree search algorithm

A protein folding potential that places the native states of a large number of proteins near a local minimum

Statistical mechanics of protein folding with separable energy functions

Prediction of protein folding from amino acid sequence over discrete conformation spaces

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