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Recognizing and validating ligands with CheckMyBlob

Structure-guided drug design depends on the correct identification of ligands in crystal structures of protein complexes. However, the interpretation of the electron density maps is challenging and often burdened with confirmation bias. Ligand identification can be aided by automatic methods such as...

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Detalles Bibliográficos
Autores principales: Brzezinski, Dariusz, Porebski, Przemyslaw J, Kowiel, Marcin, Macnar, Joanna M, Minor, Wladek
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8262754/
https://www.ncbi.nlm.nih.gov/pubmed/33905501
http://dx.doi.org/10.1093/nar/gkab296