Gordon M. Crippen

发表

Deducing Objective Site Models by Mixed Integer Programming

Gordon M. Crippen, 1999 .

Distance Geometry and Molecular Conformation

Gordon M. Crippen, Timothy F. Havel, G. Crippen, 1988 .

Gordon M. Crippen, G. Crippen, 1995, Proceedings of the Twenty-Eighth Annual Hawaii International Conference on System Sciences.

Panel Discussion: New Problems that Should be Addressed in the Next Ten Years

Gordon M. Crippen, Simon K. Kearsley, Garland R. Marshall, 1999 .

VRI: 3D QSAR at variable resolution

Gordon M. Crippen, 1999, J. Comput. Chem..

An alternative approach to distance geometry using L∞ distances

Gordon M. Crippen, G. Crippen, 2015, Discret. Appl. Math..

pKa Prediction of Monoprotic Small Molecules the SMARTS Way

Gordon M. Crippen, Adam C. Lee, Jing-yu Yu, 2008, J. Chem. Inf. Model..

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

Gordon M. Crippen, Arup K. Ghose, A. Ghose, 1987, J. Chem. Inf. Comput. Sci..

Deducing molecular similarity using Voronoi binding sites

Gordon M. Crippen, Mary P. Bradley, Wendy Richardson, 1993, J. Chem. Inf. Comput. Sci..

Use of Classification Regression Tree in Predicting Oral Absorption in Humans

Gordon M. Crippen, Lan Jiang, Volker Fischer, 2004, J. Chem. Inf. Model..

Evaluation of Ligand Overlap by Atomic Parameters

Gordon M. Crippen, Scott A. Wildman, G. Crippen, 2001, J. Chem. Inf. Comput. Sci..

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

Gordon M. Crippen, Scott A. Wildman, G. Crippen, 2003, J. Chem. Inf. Comput. Sci..

Objective models for steroid binding sites of human globulins

Gordon M. Crippen, Jurgen Schnitker, Ramesh Gopalaswamy, 1997, J. Comput. Aided Mol. Des..

Global energy minimization by rotational energy embedding

Gordon M. Crippen, Timothy F. Havel, G. Crippen, 1990, J. Chem. Inf. Comput. Sci..

Fold Recognition via a Tree

Yu Chen, Gordon M. Crippen, 2006, J. Comput. Biol..

Chemical Data Mining of the NCI Human Tumor Cell Line Database

Rajarshi Guha, Yuqing Wu, Gordon M. Crippen, 2007, J. Chem. Inf. Model..

Potential Energy Function for Continuous State Models of Globular Proteins

Gordon M. Crippen, Y. Zenmei Ohkubo, 2000, J. Comput. Biol..

The measurement of molecular diversity by receptor site interaction simulation

Gordon M. Crippen, Camden A. Parks, John G. Topliss, 1998, J. Comput. Aided Mol. Des..

Intervals and the deduction of drug binding site models

Gordon M. Crippen, G. Crippen, 1995, Proceedings of the Twenty-Eighth Annual Hawaii International Conference on System Sciences.

Data Mining the NCI60 to Predict Generalized Cytotoxicity

Gordon M. Crippen, Kerby Shedden, Gustavo R. Rosania, 2008, J. Chem. Inf. Model..

Predicting pKa

Gordon M. Crippen, Adam C. Lee, G. Crippen, 2009, J. Chem. Inf. Model..

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

Gordon M. Crippen, G. Crippen, 2009, Comput. Biol. Chem..

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

Gordon M. Crippen, Alan A. Dombkowski, G. Crippen, 1999, RECOMB.

Fast drug-receptor mapping by site-directed distances: a novel method of predicting new pharmacological leads

Andrew Smellie, Gordon M. Crippen, W. Graham Richards, 1991, J. Chem. Inf. Comput. Sci..

Prediction of Physicochemical Parameters by Atomic Contributions

Gordon M. Crippen, Scott A. Wildman, G. Crippen, 1999, J. Chem. Inf. Comput. Sci..

An iterative refinement algorithm for consistency based multiple structural alignment methods

Yu Chen, Gordon M. Crippen, G. Crippen, 2006, Bioinform..

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

Gordon M. Crippen, Y. Zenmei Ohkubo, 2000, RECOMB '00.

Cluster distance geometry of polypeptide chains

Gordon M. Crippen, 2004, J. Comput. Chem..

Distance Geometry for Realistic Molecular Conformations

Gordon M. Crippen, G. Crippen, 2013, Distance Geometry.

Residue-residue potential function for conformational analysis of proteins

Gordon M. Crippen, Motohisa Oobatake, 1981 .

Effects of distance constraints on macromolecular conformation. II. Simulation of experimental results and theoretical predictions

Irwin D. Kuntz, Gordon M. Crippen, Timothy F. Havel, 1979 .

Voronoi binding site models: Calculation of binding modes and influence of drug binding data accuracy

Gordon M. Crippen, G. Crippen, Laurent G. Boulu, 1989 .

A novel approach to calculation of conformation: Distance geometry

Gordon M. Crippen, G. Crippen, 1977 .

Stable calculation of coordinates from distance information

Gordon M. Crippen, Timothy F. Havel, G. Crippen, 1978 .

Exploring the conformation space of cycloalkanes by linearized embedding

Gordon M. Crippen, G. Crippen, 1992 .

Chemical distance geometry: Current realization and future projection

Gordon M. Crippen, G. Crippen, 1991 .

Conformational analysis by scaled energy embedding

Gordon M. Crippen, G. Crippen, 1984 .

Note rapid calculation of coordinates from distance matrices

Gordon M. Crippen, G. Crippen, 1978 .

Contact Potential for Global Identification of Correct Protein Folding

Gordon M. Crippen, Vladimir N. Maiorov, G. Crippen, 1994 .

DISTANCE GEOMETRY APPROACH TO RATIONALIZING BINDING DATA

Gordon M. Crippen, 1980 .

Lattice models of protein folding permitting disordered native states

Gordon M. Crippen, G. Crippen, M. Chhajer, 2002 .

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

Rajarshi Guha, Gordon M. Crippen, David J. Wild, 2008 .

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

Gordon M. Crippen, Jane P. F. Bai, Andrey Utis, 2005 .

Chirality Descriptors in QSAR

Gordon M. Crippen, G. Crippen, 2008 .

Application of distance geometry to protein tertiary structure calculations

Irwin D. Kuntz, Peter A. Kollman, Gordon M. Crippen, 1979 .

Predicting p K a .

Gordon M. Crippen, Adam C. Lee, G. Crippen, 2009 .

Conformational analysis by energy embedding

Gordon M. Crippen, G. Crippen, 1982 .

Failures of inverse folding and threading with gapped alignment

Gordon M. Crippen, 1996 .

Combined use of stereospecific deuteration, NMR, distance geometry, and energy minimization for the conformational analysis of the highly .delta. opioid receptor selective peptide [D-Pen2,D-Pen5]enkephalin

Gordon M. Crippen, Henry I. Mosberg, G. Crippen, 1990 .

Data Mining the NCI60 to Predict Generalized Cytotoxicity.

Gordon M. Crippen, Kerby Shedden, Adam C. Lee, 2008 .