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National Repository of Grey Literature 1 records found  Search took 0.01 seconds. 
Detection of protein-ligand binding sites using 3D Vision Transformers
 Lopuch, Ondrej ; Hoksza, David (advisor) ; Lokoč, Jakub (referee)
Detection of protein-ligand binding sites plays key role not only in understanding of protein function but it also can be used for computer-aided drug design. Improving these detection can lead to faster drug development. In recent years, many machine learning methods were proposed for this task. Nowadays, transformer architecture be- came one of the most prominent one for non-biological data. Its extension for images, vision transformer, became comparable to state-of-the-art algorithms. Moreover, this vision transformer can be expanded into 3D space. The goal of this thesis is to eval- uate possibilities of extending transformers into 3D, for biological data, specifically for protein-ligand binding site detection, exploiting the qualities of attention mechanism. 1
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