Vertex balanced dataset (protein ligand-binding sites)
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下载链接：
https://zenodo.org/record/7456118
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资源简介：
Vertex balanced dataset.
This dataset consists in 676 pairs of binding-sites
(338 similar pairs, 338 dissimilar pairs).
The original Vertex dataset was describbed in (but is not downloadable from):
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Chen, Y. C., Tolbert, R., Aronov, A. M., McGaughey, G., Walters, W. P., & Meireles, L. (2016).
Prediction of protein pairs sharing common active ligands using protein sequence,
structure, and ligand similarity.
Journal of chemical information and modeling, 56(9), 1734-1745.
https://doi.org/10.1021/acs.jcim.6b00118
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Its balanced version was recently describbed in (but is not downloadable from):
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Eguida, M., & Rognan, D. (2020).
A computer vision approach to align and compare protein cavities:
application to fragment-based drug design.
Journal of Medicinal Chemistry, 63(13), 7127-7142.
https://doi.org/10.1021/acs.jmedchem.0c00422
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创建时间：
2022-12-19
