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scPDB BO1 subset (protein ligand-binding sites)

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Zenodo2022-12-19 更新2026-05-25 收录
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The BO1 subset of the scPDB database. BO1 consists in 766 pairs of non-redundant binding-sites<br> (383 similar pairs, 383 dissimilar pairs). BO1 was describbed in:<br> ---<br> Eguida, M., &amp; Rognan, D. (2020).<br> A computer vision approach to align and compare protein cavities:<br> application to fragment-based drug design.<br> Journal of Medicinal Chemistry, 63(13), 7127-7142.<br> https://doi.org/10.1021/acs.jmedchem.0c00422<br> --- The scPDB was recently describbed in:<br> ---<br> Desaphy, J., Bret, G., Rognan, D., &amp; Kellenberger, E. (2015).<br> sc-PDB: a 3D-database of ligandable binding sites—10 years on.<br> Nucleic acids research, 43(D1), D399-D404.<br> https://doi.org/10.1093/nar/gku928<br> --- The scPDB is available at:<br> http://bioinfo-pharma.u-strasbg.fr/scPDB/<br>

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2022-12-19
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