Chemical features and machine learning assisted predictions of protein-ligand short hydrogen bonds

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There are continuous efforts to elucidate the structure and biological functions of short hydrogen bonds (SHBs), whose donor and acceptor heteroatoms reside more than 0.3 Å closer than the sum of their van der Waals radii. In this work, we evaluate 1070 atomic-resolution protein structures and chara...

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Detalles Bibliográficos
Autores principales: Zhou, Shengmin, Liu, Yuanhao, Wang, Sijian, Wang, Lu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10447522/
https://www.ncbi.nlm.nih.gov/pubmed/37612311
http://dx.doi.org/10.1038/s41598-023-40614-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10447522/
https://www.ncbi.nlm.nih.gov/pubmed/37612311
http://dx.doi.org/10.1038/s41598-023-40614-7

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