Validation of a Computational Cocrystal Prediction Tool: Comparison of Virtual and Experimental Cocrystal Screening Results von Grecu, Tudor, Hunter, Christopher A, Gardiner, Eleanor J, McCabe, James F

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Scaffold Hopping Using Clique Detection Applied to Reduced Graphs von Barker, Edward J, Buttar, David, Cosgrove, David A, Gardiner, Eleanor J, Kitts, Paula, Willett, Peter, Gillet, Valerie J

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Perspectives on Knowledge Discovery Algorithms Recently Introduced in Chemoinformatics: Rough Set Theory, Association Rule Mining, Emerging Patterns, and Formal Concept Analysis von Gardiner, Eleanor J, Gillet, Valerie J

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SPRITE and ASSAM: web servers for side chain 3D-motif searching in protein structures von Nadzirin, Nurul, Gardiner, Eleanor J, Willett, Peter, Artymiuk, Peter J, Firdaus-Raih, Mohd

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Footprinting molecular electrostatic potential surfaces for calculation of solvation energies von SOLIS CALERO, Christian, FARWER, Jochen, GARDINER, Eleanor J, HUNTER, Christopher A, MACKEY, Mark, SCUDERI, Serena, THOMPSON, Stuart, VINTER, Jeremy G

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Investigation of the Use of Spectral Clustering for the Analysis of Molecular Data von Gan, Sonny, Cosgrove, David A, Gardiner, Eleanor J, Gillet, Valerie J

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Structural Mechanics of DNA Wrapping in the Nucleosome von Battistini, Federica, Hunter, Christopher A., Gardiner, Eleanor J., Packer, Martin J.

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Genomic Data Analysis Using DNA Structure:  An Analysis of Conserved Nongenic Sequences and Ultraconserved Elements von Gardiner, Eleanor J, Hirons, Linda, Hunter, Christopher A, Willett, Peter

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Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm von Raymond, John W, Gardiner, Eleanor J, Willett, Peter

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Compression of Molecular Interaction Fields Using Wavelet Thumbnails: Application to Molecular Alignment von Martin, Richard L, Gardiner, Eleanor J, Senger, Stefan, Gillet, Valerie J

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Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations von Gardiner, Eleanor J, Cosgrove, David A, Taylor, Robin, Gillet, Valerie J

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Development and validation of an improved algorithm for overlaying flexible molecules von Taylor, Robin, Cole, Jason C., Cosgrove, David A., Gardiner, Eleanor J., Gillet, Valerie J., Korb, Oliver

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Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs von Gardiner, Eleanor J, Gillet, Valerie J, Willett, Peter, Cosgrove, David A

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Structural Fingerprints of Transcription Factor Binding Site Regions von Gardiner, Eleanor J., Hunter, Christopher, Willett, Peter

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Sequence-dependent DNA Structure: A Database of Octamer Structural Parameters von Gardiner, Eleanor J, Hunter, Christopher A, Packer, Martin J, Palmer, David S, Willett, Peter

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GAPDOCK: A genetic algorithm approach to protein docking in CAPRI round 1 von Gardiner, Eleanor J., Willett, Peter, Artymiuk, Peter J.

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A Structural Similarity Analysis of Double-helical DNA von Gardiner, Eleanor J., Hunter, Christopher A., Lu, Xiang-Jun, Willett, Peter

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A Fourier Fingerprint-Based Method for Protein Surface Representation von Bayley, Martin J, Gardiner, Eleanor J, Willett, Peter, Artymiuk, Peter J

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Structural DNA Profiles:  Single Sequence Queries von Hirons, Linda, Gardiner, Eleanor J, Hunter, Christopher A, Willett, Peter

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Further Development of Reduced Graphs for Identifying Bioactive Compounds von Barker, Edward J, Gardiner, Eleanor J, Gillet, Valerie J, Kitts, Paula, Morris, Jeff

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