PubMed · 16201398
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H Müller. 2005. Manual correlation.. https://pubmed.ncbi.nlm.nih.gov/16201398/
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By using internal combinatorial library we were able to identify (4R)-thiazolidines carboxylic acid and its 2-substituted analogs as active inhibitors of urease. Molecular modeling and virtual screening were utilized to find out potential compounds. Computational techniques were employed at database of 90,000 ligands and selected the structure representing the low energy conformations, Grid and FlexX docking algorithms were used and the top binding ligands were synthesized and screened in wet-lab.
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We propose a new class of aperture-coded spectrometer that is optimized for the spectral characterization of diffuse sources. The instrument achieves high throughput and high spectral resolution by replacing the slit of conventional dispersive spectrometers with a more complicated spatial filter. We develop a general mathematical framework for deriving the required aperture codes and discuss several appealing code families. Experimental results validate the performance of the instrument.