PDBe CCDUtils: an RDKit-based toolkit for handling and analysing small molecules in the Protein Data Bank

While the Protein Data Bank (PDB) contains a wealth of structural information on ligands bound to macromolecules, their analysis can be challenging due to the large amount and diversity of data. Here, we present PDBe CCDUtils, a versatile toolkit for processing and analysing small molecules from the...

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Detalles Bibliográficos
Autores principales: Kunnakkattu, Ibrahim Roshan, Choudhary, Preeti, Pravda, Lukas, Nadzirin, Nurul, Smart, Oliver S., Yuan, Qi, Anyango, Stephen, Nair, Sreenath, Varadi, Mihaly, Velankar, Sameer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10693035/
https://www.ncbi.nlm.nih.gov/pubmed/38042830
http://dx.doi.org/10.1186/s13321-023-00786-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10693035/
https://www.ncbi.nlm.nih.gov/pubmed/38042830
http://dx.doi.org/10.1186/s13321-023-00786-w

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