Weak Noncovalent Interactions in Three Closely Related Adamantane-Linked 1,2,4-Triazole N-Mannich Bases: Insights from Energy Frameworks, Hirshfeld Surface Analysis, In Silico 11β-HSD1 Molecular Docking and ADMET Prediction.
Molecules (Basel, Switzerland)
Al-Wahaibi, Lamya H LH; Macías, Mario A MA; Blacque, Olivier O; Zondagh, Luke S LS; Joubert, Jacques J; Thamotharan, Subbiah S; Percino, María Judith MJ; Mohamed, Ahmed A B AAB; El-Emam, Ali A AA
A multi-substrate screening approach for the identification of a broadly applicable Diels-Alder catalyst.
Nature Communications
Kim, Hyejin H; Gerosa, Gabriela G; Aronow, Jonas J; Kasaplar, Pinar P; Ouyang, Jie J; Lingnau, Julia B JB; Guerry, Paul P; Farès, Christophe C; List, Benjamin B