The patent for our invention: “Methods for target-based drug screening through numerical inversion of quantitative structure-drug performance relationships and molecular dynamics simulations” (J. Jay Liu, Myunggi Yi, Petar Žuvela) has been granted by the Korean patent office. PCT is still pending. The corresponding publication can be found at the following link.
Month: July 2019
Paper “Quantitative structure-retention relationships with non-linear programming for prediction of chromatographic elution order” published in the International Journal of Molecular Sciences as part of the special issue dedicated to Prof. Roman Kaliszan on QSRRs and related methods in separation science.