Elucidation of protein function using computational docking and hotspot analysis by ClusPro and FTMap

Jones, G.; Jindal, A.; Ghani, U.; Kotelnikov, S.; Egbert, M.; Hashemi, N.; Vajda, S.; Padhorny, D.; Kozakov, D.

doi:10.1107/S2059798322002741

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 8
Docking comparison between AlphaFold2 and ClusPro. Docking results for β-lactamase inhibitory protein (UniProt P35804) and the β-lactamase TEM1 (UniProt P62593) from the protein–protein docking benchmark (Vreven et al., 2015

). Comparison of the best docked models produced by AlphaFold2 and those produced by the docking of AlphaFold2 subunits using ClusPro.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 78| Part 6| June 2022| Pages 690-697

https://doi.org/10.1107/S2059798322002741

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