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

Aderinwale, T.; Bharadwaj, V.; Christoffer, C.; Terashi, G.; Zhang, Z.; Jahandideh, R.; Kagaya, Y.; Kihara, D.

doi:10.1101/2021.10.21.465371

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bioRxiv · 10.1101/2021.10.21.465371

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

Aderinwale, T.·Bharadwaj, V.·Christoffer, C.·Terashi, G.·Zhang, Z.·Jahandideh, R.·Kagaya, Y.·Kihara, D.

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Abstract

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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Aderinwale, T., Bharadwaj, V., Christoffer, C., Terashi, G., Zhang, Z., Jahandideh, R., Kagaya, Y., Kihara, D.. 2021-10-23. Real-Time Structure Search and Structure Classification for AlphaFold Protein Models. https://doi.org/10.1101/2021.10.21.465371

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