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Real-Time Structure Search and Structure Classification for AlphaFold Protein Models

By Tunde Aderinwale, Vijay Bharadwaj, Charles Christoffer, Genki Terashi, Zicong Zhang, Rhashidedin Jahandideh, Yuki Kagaya, Daisuke Kihara

Posted 23 Oct 2021
bioRxiv DOI: 10.1101/2021.10.21.465371

AlphaFold2 showed a substantial improvement in the accuracy of protein structure prediction. Following the release of the software, whole-proteome protein structure predictions by AlphaFold2 for 21 organisms were made publicly available. Here, we developed the infrastructure, 3D-AF-Surfer, to enable real-time structure-based search for the AlphaFold2 models by combining molecular surface representation with 3D Zernike descriptors and deep neural networks.

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