Large-scale annotation of biochemically relevant pockets and tunnels in cognate enzyme–ligand complexes

Abstract Tunnels in enzymes with buried active sites are key structural features allowing the entry of substrates and the release of products, thus contributing to the catalytic efficiency. Targeting the bottlenecks of protein tunnels is also a powerful protein engineering strategy. However, the ide...

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Үндсэн зохиолчид:	O. Vavra, J. Tyzack, F. Haddadi, J. Stourac, J. Damborsky, S. Mazurenko, J. M. Thornton, D. Bednar
Формат:	Artigo
Хэл сонгох:	Inglês
Хэвлэсэн:	BMC 2024-10-01
Цуврал:	Journal of Cheminformatics
Нөхцлүүд:	Bottleneck Cognate ligand Cavity Enzyme Tunnel Machine learning
Онлайн хандалт:	https://doi.org/10.1186/s13321-024-00907-z
Шошгууд:	Шошго нэмэх Шошго байхгүй, Энэхүү баримтыг шошголох эхний хүн болох!