José Manuel García de la Vega

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A novel heuristic using an iterative select-and-purge strategy is proposed. It combines statistical techniques for sampling and classification by rigid molecular docking through an inverse virtual screening scheme. This approach aims to the de novo discovery of short peptides that may act as docking receptors for small target molecules when there are no(More)
We aimed to analyze the optimal conditions to carry out the periodical statistical control tests of the gamma camera count rate performance. First we focused in reproducing the actual R(20) value of the gamma camera response. Second we studied the variability of this parameter in the statistical control test. We performed a reference measurement, which(More)
Quantitative structure-activity relationship (QSAR) study of 19-nor-testosterone steroids family was performed using quantum and physicochemical molecular descriptors. The quantum-chemical descriptors were calculated using semiempirical calculations. The descriptor values were statistically correlated using multi-linear regression analysis. The QSAR study(More)
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