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-Structure paper
Title | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches. |
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Journal, issue, pages | Rsc Med Chem, Vol. 15, Page 2146-2159, Year 2024 |
Publish date | Nov 1, 2023 (structure data deposition date) |
Authors | Hazemann, J. / Kimmerlin, T. / Lange, R. / Sweeney, A.M. / Bourquin, G. / Ritz, D. / Czodrowski, P. |
External links | Rsc Med Chem / PubMed:38911172 |
Methods | X-ray diffraction |
Resolution | 1.3 - 1.587 Å |
Structure data | PDB-8r11: PDB-8r12: PDB-8r14: PDB-8r16: |
Chemicals |
ChemComp-XI0: ChemComp-GOL: ChemComp-BR: ChemComp-CL: ChemComp-EDO: ChemComp-NA: ChemComp-HOH:
ChemComp-XH9: ChemComp-DMS:
ChemComp-XHW: ChemComp-PGE:
ChemComp-XJ9: |
Source |
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Keywords | HYDROLASE / Fragment / inhibitor / protease |