Abstract | ||
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KiBank is a database of inhibition constant (Ki) values with 3D structures of target proteins and chemicals. Ki values were accumulated from peer-reviewed literature searched via PubMed. The 3D structure files of target proteins were originally from Protein Data Bank (PDB), while the 2D structure files of the chemicals were collected together with the Ki values and then converted into 3D ones. In KiBank, the chemical and protein 3D structures with hydrogen atoms were optimized by energy minimization and stored in MDL MOL and PDB format, respectively. |
Year | DOI | Venue |
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2004 | 10.1016/j.compbiolchem.2004.09.003 | Computational Biology and Chemistry |
Keywords | DocType | Volume |
Target protein,Inhibition constant,Database,Drug design | Journal | 28 |
Issue | ISSN | Citations |
5 | 1476-9271 | 6 |
PageRank | References | Authors |
2.06 | 0 | 6 |
Name | Order | Citations | PageRank |
---|---|---|---|
Junwei Zhang | 1 | 46 | 9.28 |
Masahiro Aizawa | 2 | 16 | 3.40 |
Shinji Amari | 3 | 16 | 3.40 |
Yoshio Iwasawa | 4 | 16 | 3.40 |
Tatsuya Nakano | 5 | 31 | 6.74 |
Kotoko Nakata | 6 | 29 | 7.22 |