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Number of items at this level: 32.


Artymiuk, P.J., Spriggs, R.V. and Willett, P. (2005) Graph theoretic methods for the analysis of structural relationships in biological macromolecules. Journal of the American Society for Information Science and Technology, 56 (5). pp. 518-528. ISSN 1532 - 2882

Ashton, M., Barnard, J., Casset, F., Charlton, M., Downs, G., Gorse, D., Holliday, J.D., Lahana, R. and Willett, P. (2003) Identification of diverse database subsets using property-based and fragment-based molecular descriptions. Quantitative Structure-Activity Relationships, 21 (6). pp. 598-604.


Bohl, M., Dunbar, J., Gifford, E.M., Heritage, T., Wild, D.J., Willett, P. and Wilton, D.J. (2003) Scaffold searching: automated identification of similar ring systems for the design of combinatorial libraries. Quantitative Structure-Activity Relationships, 21 (6). pp. 590-597. ISSN 1611-0218


Charalambous, K., O'Reilly, A.O., Bullough, P.A. and Wallace, B.A. (2009) Thermal and chemical unfolding and refolding of a eukaryotic sodium channel. Biochimica et Biophysica Acta - Biomembranes, 1788 (6). pp. 1279-1286. ISSN 0005-2736

Chen, B., Harrison, R.F., Hert, J., Mpanhanga, C., Willett, P. and Wilton, D.J. (2005) Ligand-based virtual screening using binary kernel discrimination. Molecular Simulation, 31 (8). pp. 597-604. ISSN 0892-7022

Chen, B., Mueller, C. and Willett, P. (2009) Evaluation of a Bayesian inference network for ligand-based virtual screening. Cheminformatics, 1 (5). ISSN 1758-2946

Chiravuri, M., Lee, H., Mathieu, S.L. and Huber, B.T. (2000) Homodimerization via a Leucine Zipper Motif Is Required for Enzymatic Activity of Quiescent Cell Proline Dipeptidase. Journal of Biological Chemistry, 275 (35). pp. 26994-26999. ISSN 1083-351X


Edgar, S.J., Holliday, J.D. and Willett, P. (2000) Effectiveness of retrieval in similarity searches of chemical databases: A review of performance measures. Journal of Molecular Graphics and Modelling, 18 (4-5). pp. 343-357. ISSN 1093-3263


Gardiner, E.J., Willett, P. and Artymiuk, P.J. (2003) GAPDOCK: A genetic algorithm approach to protein docking in CAPRI round 1. Proteins: Structure, Function, and Genetics, 52 (1). pp. 10-14.

Gedeck, P. and Willett, P. (2001) Visual and computational analysis of structure-activity relationships in high-throughput screening data. Current Opinion in Chemical Biology, 5 (4). pp. 389-395. ISSN 1367-5931

Gillet, V.J., Khatib, W., Willett, P., Fleming, P.J. and Green, D.S.V. (2002) Combinatorial library design: using a multiobjective genetic algorithm. Journal of Chemical Information and Computer Sciences, 42 (2). pp. 375-385. ISSN 0095-2338

Gillet, V.J., Willett, P. and Bradshaw, J. (2003) Similarity searching using reduced graphs. Journal of Chemical Information and Computer Sciences, 43 (2). pp. 338-345. ISSN 0095-2338


Harrison, A-M., South, D.R., Willett, P. and Artymiuk, P.J. (2004) Representation, searching and discovery of patterns of bases in complex RNA structures. Journal of Computer-Aided Molecular Design, 17 (8). pp. 537-549. ISSN 1573-4951

Hirons, L., Holliday, J.D., Jelfs, S.P., Willett, P. and Gedeck, P. (2005) Use of the R-group descriptor for alignment-free QSAR. QSAR & Combinatorial Science, 24 (5). pp. 611-619. ISSN 1611-0218

Holliday, J.D., Hu, C.-Y. and Willett, P. (2002) Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings. Combinatorial Chemistry and High Throughput Screening, 5 (2). pp. 155-166. ISSN 1386-2073

Holliday, J.D., Jelfs, S.P., Willett, P. and Gedeck, P. (2003) Calculation of inter-substituent similarity using R-group descriptors. Journal of Chemical Information and Computer Sciences, 43 (2). pp. 406-411. ISSN 0095-2338

Holliday, J.D., Rodgers, S.L., Willett, P., Chen, M-Y., Mahfouf, M., Lawson, K. and Mullier, G. (2004) Clustering files of chemical structures using the fuzzy k-means clustering method. Journal of Chemical Information and Computer Sciences, 44 (3). pp. 894-902. ISSN 0095-2338


Jewell, N.E., Turner, D.B., Willett, P. and Sexton, G.J. (2001) Automatic generation of alignments for 3D QSAR analyses. Journal of Molecular Graphics and Modelling, 20 (2). pp. 111-121. ISSN 1093-3263


Kennewell, E., Willett, P., Ducrot, P. and Luttmann, C. (2006) Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data. Journal of Computer-Aided Molecular Design, 20 (6). pp. 385-394. ISSN 0920-654X


Langton, K.P., Barker, M.D. and McKie, N. (1998) Localization of the Functional Domains of Human Tissue Inhibitor of Metalloproteinases-3 and the Effects of a Sorsby's Fundus Dystrophy Mutation. Journal of Biological Chemistry, 273 (27). pp. 16778-16781. ISSN 0021-9258


Mui, E.J., Schiehser, G.A., Milhous, W.K., Hsu, H., Roberts, C.W., Kirisits, M., Muench, S., Rice, D., Dubey, J.P., Fowble, J.W., Rathod, P.K., Queener, S.F., Liu, S.R., Jacobus, D.P., McLeod, R. and Matlashewski, G. (2008) Novel Triazine JPC-2067-B Inhibits Toxoplasma gondii In Vitro and In Vivo. PLoS Neglected Tropical Diseases, 2 (3). e190. ISSN 1935-2735


Raymond, J.W., Blankley, C.J. and Willett, P. (2003) Comparison of chemical clustering methods using graph- and fingerprint-based similarity measures. Journal of Molecular Graphics and Modelling, 21 (5). pp. 421-433. ISSN 1093-3263

Raymond, J.W., Gardiner, E.J. and Willett, P. (2002) RASCAL: calculation of graph similarity using maximum common edge subgraphs. The Computer Journal, 45 (6). pp. 631-644. ISSN 1460-2067

Raymond, J.W. and Willett, P. (2002) Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases. Journal of Computer-Aided Molecular Design, 16 (1). pp. 59-71. ISSN 1573-4951


Turner, D.B. and Willett, P. (2000) The EVA spectral descriptor. European Journal of Medicinal Chemistry, 35 (4). pp. 367-375. ISSN 0223-5234

Turner, D.B. and Willett, P. (2000) Evaluation of the EVA Descriptor for QSAR Studies: 3. The use of a Genetic Algorithm to Search for Models with Enhanced Predictive Properties (EVA_GA). Journal of Computer-Aided Molecular Design, 14 (1). pp. 1-21. ISSN 1573-4951


Wheeler, R., Turner, R.D., Bailey, R.G., Salamaga, B., Mesnage, S., Mohamad, S.A., Hayhurst, E.J., Horsburgh, M., Hobbs, J.K. and Foster, S.J. (2015) Bacterial Cell Enlargement Requires Control of Cell Wall Stiffness Mediated by Peptidoglycan Hydrolases. MBio, 6 (4). e00660 . ISSN 2150-7511

Willett, P. (2006) Enhancing the effectiveness of ligand-based virtual screening using data fusion. QSAR & Combinatorial Science, 25 (12). pp. 1143-1152. ISSN 1611-020X

Willett, P. (2004) The Evaluation Of Molecular Similarity And Molecular Diversity Methods Using Biological Activity Data. In: Bajorath, J., (ed.) Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery. Methods in Molecular Biology (275). Humana Press , New York , pp. 51-63. ISBN 978-1-59259-802-1

Willett, P. (2006) Similarity-based virtual screening using 2D fingerprints. Drug Discovery Today, 11 (23-24). pp. 1046-1053. ISSN 1359-6446

Willett, P. (2008) A bibliometric analysis of the literature of chemoinformatics. Aslib Proceedings, 60 (1). pp. 4-17. ISSN 0001-253X


Xiao, B., Jing, C., Wilson, J.R., Walker, P.A., Vasisht, N., Kelly, G., Howell, S., Taylor, I.A., Blackburn, G.M. and Gamblin, S.J. (2003) Structure and catalytic mechanism of the human histone methyltransferase SET7/9. Nature, 421 (6923). pp. 652-656. ISSN 0028-0836

This list was generated on Sat Nov 28 14:49:30 2015 GMT.