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-Structure paper
Title | Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors. |
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Journal, issue, pages | J. Med. Chem., Vol. 60, Page 2485-2497, Year 2017 |
Publish date | Dec 21, 2016 (structure data deposition date) |
Authors | Kuhn, B. / Tichy, M. / Wang, L. / Robinson, S. / Martin, R.E. / Kuglstatter, A. / Benz, J. / Giroud, M. / Schirmeister, T. / Abel, R. ...Kuhn, B. / Tichy, M. / Wang, L. / Robinson, S. / Martin, R.E. / Kuglstatter, A. / Benz, J. / Giroud, M. / Schirmeister, T. / Abel, R. / Diederich, F. / Hert, J. |
External links | J. Med. Chem. / PubMed:28287264 |
Methods | X-ray diffraction |
Resolution | 1.13 Å |
Structure data | PDB-5mqy: |
Chemicals | ChemComp-GH4: ChemComp-EDO: ChemComp-HOH: |
Source |
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Keywords | HYDROLASE / PROTEASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR COMPLEX |