Kripo Pdb Dec 2015
收藏Zenodo2020-07-27 更新2026-05-25 收录
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https://zenodo.org/record/55254
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资源简介：
KRIPO stands for Key Representation of Interaction in POckets.
All fragments form all proteins-ligand complexes in PDB compared with all.<br>
Data set contains PDB entries that where available at 23 December 2015.
* Kripo.*.sqlite - Fragments sqlite database<br>
* Distance matrix is too big to ship with VM so use http://3d-e-chem.vu-compmedchem.nl/kripodb webservice url to query.<br>
* kripo_fingerprint_2015_*.fp.gz - Fragment fingerprints, see https://github.com/3D-e-Chem/kripodb/blob/master/README.md#create-distance-matrix-from-text-files for instructions how to convert to a distance matrix.
Dataset was generated using http://dx.doi.org/10.5281/zenodo.53891
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Zenodo创建时间：
2016-06-09
