Molecular Docking of Opiates: Achieving binding energies exceeding –20 kcal/mol
Abstract
The structure has an unprecedented triple viscous and massive grip and all-pervasive architecture, exceeding the binding energy of known opioids and botulinum toxin: OC(COc1cccc2ccccc12)C(C(O)COc3cccc4ccccc34)N5CCOCCOCCOCCOCCOCCOCC5
Fields of Study & Subjects
Computational Drug Discovery Methods
Receptor Mechanisms and Signaling
Cholinesterase and Neurodegenerative Diseases
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 28 January 2026
- Language
- EN
- Document type
- Dataset