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» Using CAD to shape experiments in molecular QCA
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BMCBI
2010
118views more  BMCBI 2010»
14 years 12 months ago
Artificial neural networks for the prediction of peptide drift time in ion mobility mass spectrometry
Background: There is an increasing usage of ion mobility-mass spectrometry (IMMS) in proteomics. IMMS combines the features of ion mobility spectrometry (IMS) and mass spectrometr...
Bing Wang, Steve Valentine, Manolo Plasencia, Srir...
DILS
2007
Springer
15 years 6 months ago
Fast Approximate Duplicate Detection for 2D-NMR Spectra
2D-Nuclear magnetic resonance (NMR) spectroscopy is a powerful analytical method to elucidate the chemical structure of molecules. In contrast to 1D-NMR spectra, 2D-NMR spectra cor...
Björn Egert, Steffen Neumann, Alexander Hinne...
BMCBI
2010
139views more  BMCBI 2010»
14 years 12 months ago
TOPSAN: a collaborative annotation environment for structural genomics
Background: Many protein structures determined in high-throughput structural genomics centers, despite their significant novelty and importance, are available only as PDB depositi...
Dana Weekes, S. Sri Krishna, Constantina Bakolitsa...