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2009
Bassett, E., Wishart, D.S., Lu, P., MacDonnell, C., Berjanskii, M., Zhou, J., Liang, J., Zhou, Y., Cruz, J.A., Lin, G., Tang, P.
GeNMR (GEnerate NMR structures) is a web server for rapidly generating accurate 3D protein structures using sequence data, NOE-based distance restraints and/or NMR chemical shifts as input. GeNMR accepts distance restraints in XPLOR or CYANA format as well as chemical shift files in either SHIFTY...
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2009
Lewis, A., Wishart, D.S., Guo, A.C., Gautam, B., Tzur, D., Sobsey, C.A., Shaykhutdinov, R., Fradette, R., De Souza, A., Cruz, J.A., Xiong, Y., Bouatra, S., Mandal, R., Psychogios, N., Sinelnikov, I., Vogel, H.J., Fang, L., Peng, J., Xia, J., Li, L., Knox, C., Shrivastava, S., Clements, M., Lim, E., Eisner, R., Cheng, D., Dawe, M., Zuniga, A., Young, N., Jia, L., Grenier, R., Hau, D.D., Huang, P., Nazyrova, A., Liu, P., Forsythe, I., Dong, E., Clive, D.
The Human Metabolome Database (HMDB, http:// www.hmdb.ca (http://www.hmdb.ca)) is a richly annotated resource that is designed to address the broad needs of biochemists, clinical chemists, physicians, medical geneticists, nutritionists and members of the metabolomics community. Since its first...
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PolySearch: A web-based text mining system for extracting relationships between human diseases, genes, mutations, drugs and metabolites
Download2008
Stothard, P., Damaraju, S., Wishart, D.S., Young, N., Cheng, D., Knox, C.
A particular challenge in biomedical text mining is to find ways of handling ‘comprehensive’ or ‘associative’ queries such as ‘Find all genes associated with breast cancer’. Given that many queries in genomics, proteomics or metabolomics involve these kind of comprehensive searches we believe...
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PROTEUS2: A Web Server for Comprehensive Protein Structure Prediction and Structure-Based Annotation
Download2008
Shrivistava, S., Berjanskii, M., Wishart, D.S., Cruz, J.A., Arndt, D., Montgomerie, S.
PROTEUS2 is a web server designed to support comprehensive protein structure prediction and structure-based annotation. PROTEUS2 accepts either single sequences (for directed studies) or multiple sequences (for whole proteome annotation) and predicts the secondary and, if possible, tertiary...
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CS23D: A web server for rapid protein structure generation using NMR chemical shifts and sequence data
Download2008
Wishart, D.S., Berjanskii, M., Arndt, D., Lin, G., Tang, P., Zhou, J.
CS23D (chemical shift to 3D structure) is a web server for rapidly generating accurate 3D protein structures using only assigned nuclear magnetic resonance (NMR) chemical shifts and sequence data as input. Unlike conventional NMR methods, CS23D requires no NOE and/or J-coupling data to perform...
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2006
Hassanali, M., Stothard, P., Knox, C., Wishart, D.S., Shrivastava, S., Guo, A., Woolsey, J.
DrugBank is a unique bioinformatics/cheminformatics resource that combines detailed drug (i.e. chemical) data with comprehensive drug target (i.e. protein) information. The database contains .4100 drug entries including .800 FDA approved small molecule and biotech drugs as well as .3200...
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2006
Wishart, D.S., Neal, S., Berjanskii, M.V.
Every year between 500 and 1000 peptide and protein structures are determined by NMR and deposited into the Protein Data Bank. However, the process of NMR structure determination continues to be a manually intensive and time-consuming task. One of the most tedious and error-prone aspects of this...
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Improving the accuracy of protein secondary structure prediction using structural alignment
Download2006
Gallin, W.J., Wishart, D.S., Montgomerie, S., Sundararaj, S.
Background: The accuracy of protein secondary structure prediction has steadily improved over the past 30 years. Now many secondary structure prediction methods routinely achieve an accuracy (Q3) of about 75%. We believe this accuracy could be further improved by including structure (as opposed...
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2006
Berlyn, M.K., Plunkett, G., Wishart, D.S., Nori, H., Riley, M., Rudd, K.E., Glasner, J.D., Arnaud, M.B., Abe, T., Thomson, N.R., Wanner, B.L., Pernas, N.T., Blattner, F.R., Serres, M.H., Thomas, G.H., Horiuchi, T., Kosuge, T., Keseler, I.M., Chaudhuri, R.R.
The goal of this group project has been to coordinate and bring up-to-date information on all genes of Escherichia coli K-12. Annotation of the genome of an organism entails identification of genes, the boundaries of genes in terms of precise start and end sites, and description of the gene...