SHREC 2022: Protein–ligand binding site recognition

نویسندگان

چکیده

This paper presents the methods that have participated in SHREC 2022 contest on protein–ligand binding site recognition. The prediction of protein- ligand regions is an active research domain computational biophysics and structural biology plays a relevant role for molecular docking drug design. goal to assess effectiveness recognizing sites protein based its geometrical structure. Performances segmentation algorithms are analyzed according two evaluation scores describing capacity putative pocket contact pinpoint correct region. Despite some perform remarkably, we show simple non-machine-learning approaches remain very competitive against data-driven algorithms. In general, task detection remains challenging learning problem which suffers intrinsic difficulties due lack negative examples (data imbalance problem). • A new protein. Proteins provided both as surfaces anonymized PQR format. Analysis performances 2022.

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ژورنال

عنوان ژورنال: Computers & Graphics

سال: 2022

ISSN: ['0097-8493', '1873-7684']

DOI: https://doi.org/10.1016/j.cag.2022.07.005