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2003
Monzavi, H., Willard, L., Zhang, H., Boyko, R.F., Ranjan, A., Wishart, D.S., Sykes, B.D.
VADAR (Volume Area Dihedral Angle Reporter) is a comprehensive web server for quantitative protein structure evaluation. It accepts Protein Data Bank (PDB) formatted files or PDB accession numbers as input and calculates, identifies, graphs, reports and/ or evaluates a large number (>30) of key...
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The CyberCell Database (CCDB): A comprehensive, self-updating relational database to coordinate and facilitate in silico modeling of Escherichia coli
Download2004
Stothard, P., Rouani, M., Sundararaj, S., Wishart, D.S., Nazhad, B.H., Guo, A., Ellison, M.
The CyberCell Database (CCDB: http://redpoll. pharmacy.ualberta.ca/CCDB) is a comprehensive, web-accessible database designed to support and coordinate international efforts in modeling an Escherichia coli cell on a computer. The CCDB brings together both observed and derived quantitative data...
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2004
Maiti, R., Van Domselaar, G.H., Wishart, D.S., Zhang, H.
The SuperPose web server rapidly and robustly calculates both pairwise and multiple protein structure superpositions using a modified quaternion eigenvalue approach. SuperPose generates sequence alignments, structure alignments,PDB(Protein Data Bank) coordinates andRMSDstatistics, as well as...
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Spatiotemporal integration of molecular and anatomical data in virtual reality using semantic mapping
Download2009
Janzen, R.P., Dong, X., Gordon, P.M., Soh, J., Wishart, D.S., Sabhaney, A., Turinsky, A.L., Sensen, C.W., Chang, J., Hau, D., Xia, J., Trinh, Q.M.
We have developed a computational framework for spatiotemporal integration of molecular and anatomical datasets in a virtual reality environment. Using two case studies involving gene expression data and pharmacokinetic data, respectively, we demonstrate how existing knowledge bases for molecular...
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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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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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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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2004
Wishart, D.S., Stothard, P., Dong, X., Forsythe, I.
PlasMapper is a comprehensive web server that automatically generates and annotates high-quality circular plasmid maps. Taking only the plasmid/vector DNA sequence as input, PlasMapper uses sequence pattern matching and BLAST alignment to automatically identify and label common promoters,...
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PA-GOSUB: A searchable database of model organism protein sequences with their predicted GO molecular function and subcellular localization
Download2005
Poulin, B., Lu, P., Wishart, D.S., Szafron, D., Lamb, N., Eisner, R., Pearcy, B., Ngo, D., Fyshe, A., Grenier, R.
PA-GOSUB (Proteome Analyst: Gene Ontology Molecular Function and Subcellular Localization) is a publicly available, web-based, searchable and downloadable database that contains the sequences, predicted GO molecular functions and predicted subcellular localizations of more than 107 000 proteins...