Automatic recognition of ligands in electron density by machine learning

MOTIVATION: The correct identification of ligands in crystal structures of protein complexes is the cornerstone of structure-guided drug design. However, cognitive bias can sometimes mislead investigators into modeling fictitious compounds without solid support from the electron density maps. Ligand...

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Bibliographic Details
Published in:Bioinformatics
Main Authors: Kowiel, Marcin, Brzezinski, Dariusz, Porebski, Przemyslaw J, Shabalin, Ivan G, Jaskolski, Mariusz, Minor, Wladek
Format: Artigo
Language:Inglês
Published: Oxford University Press 2019
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Original Papers
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC6361236/
https://ncbi.nlm.nih.gov/pubmed/30016407
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/bty626
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