Browsing University of Galway Support Services by Author "Álvarez-Carretero, Sandra"
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Vspipe, an integrated resource for virtual screening and hit selection: applications to protein tyrosine phospahatase inhibition
Álvarez-Carretero, Sandra; Pavlopoulou, Niki; Adams, James; Gilsenan, Jane; Tabernero, Lydia (MDPI AG, 2018-02-07)The use of computational tools for virtual screening provides a cost-efficient approach to select starting points for drug development. We have developed VSpipe, a user-friendly semi-automated pipeline for structure-based ...