Title
Development of KiBank, a database supporting structure-based drug design.
Abstract
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
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 Zhang1469.28
Masahiro Aizawa2163.40
Shinji Amari3163.40
Yoshio Iwasawa4163.40
Tatsuya Nakano5316.74
Kotoko Nakata6297.22