Third generation online screening for structure-activity modelling
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Third generation online screening for structure-activity modelling
Wed, 29/11/2023 - 13:00 to 14:00
Location:
Speaker:
Andrew Nelson
Affiliation:
University of Leeds
Synopsis:
This talk follows the development of innovative screening technology from its original inception to its ruggedisation, automation, validation and demonstration. The technology formed the core of three EU framework projects, ENNSATOX, HISENTS and SABYDOMA and its role in the two latter Horizon projects is covered. Finally three case studies will be described: (1) Silica nanomaterial and (2) PvP adsorption on lipid membranes, and (3) Aminoquinoline and antimalarial interaction with lipids and its biological relevance.