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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...

2004

Poulin, P., Lu, Z., Fyshe, A., Szafron, D., Meeuwis, D., Anvik, J., Wishart, D.S., Grenier, R., Eisner, R., Macdonell, C., Lu, P.

2008

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...

2009

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...

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...

2004

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...

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...