Chemical curation to improve data accuracy: recent development of the 3DMET database
Author:
Affiliation:
1. Advanced Analysis Center, National Agriculture and Food Research Organization
Publisher
Biophysical Society of Japan
Subject
General Medicine
Link
https://www.jstage.jst.go.jp/article/biophysico/15/0/15_87/_pdf
Reference10 articles.
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2. [3] Kawabata, T., Sugihara, Y., Fukunishi, Y. & Nakamura, H. LigandBox: A database for 3D structures of chemical compounds. Biophysics 9, 113–121 (2013).
3. [4] Nakamura, K., Shimura, N., Otabe, Y., Hirai-Morita, A., Nakamura, Y., Ono, N., et al. KNApSAcK-3D: a three-dimensional structure database of plant metabolites. Plant Cell Physiol. 54, e4 (2013).
4. [8] Meng, X.-Y., Zhang, H.-X., Mezei, M. & Cui, M. Molecular Docking: A powerful approach for structure-based drug discovery. Curr. Comput. Aided Drug Des. 7, 146–157 (2011).
5. [11] Rarey, M., Kramer, B., Lengauer, T. & Klebe, G. A fast flexible docking method using an incremental construction algorithm. J. Mol. Biol. 261, 470–489 (1996).
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