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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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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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MetaboMiner – semi-automated identification of metabolites from 2D NMR spectra of complex biofluids
Download2008
Tang, P., Wishart, D.S., Xia, J., Bjorndahl, T.C.
Background One-dimensional (1D) 1H nuclear magnetic resonance (NMR) spectroscopy is widely used in metabolomic studies involving biofluids and tissue extracts. There are several software packages that support compound identification and quantification via 1D 1H NMR by spectral fitting...