Unraveling individual host-guest interactions in molecular recognition from first principles quantum mechanics Insights into the nature of nicotinic acetylcholine receptor agonist binding

Unraveling individual host-guest interactions in molecular recognition from first principles quantum mechanics : Insights into the nature of nicotinic acetylcholine receptor agonist binding

© 2020 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 42(2021), 5 vom: 15. Feb., Seite 293-302
1. Verfasser: Beck, Michael Edmund (VerfasserIn)
Weitere Verfasser: Riplinger, Christoph, Neese, Frank, Bistoni, Giovanni
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2021
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't drug design intermolecular interactions local coupled cluster local energy decomposition molecular recognition protein-ligand interactions Ligands Neonicotinoids mehr... Nicotinic Agonists Nitro Compounds Receptors, Nicotinic imidacloprid 3BN7M937V8
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