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Host-guest molecular encapsulation of cucurbit[7]uril with dillapiole congeners using docking simulation and density functional theory approaches
Authors:Mustafa  Siti Fatimah Zaharah  Arsad   Siti Rosilah  Mohamad   Habsah  Abdallah   Hassan H.  Maarof  Hasmerya
Affiliation:1.Institute of Marine Biotechnology, Universiti Malaysia Terengganu, 21030, Kuala Nerus, Terengganu, Malaysia
;2.Department of Chemistry, Faculty of Science, Universiti Teknologi Malaysia, 81310 UTM, Johor Bahru, Johor, Malaysia
;3.Chemistry Department, College of Education, Salahaddin University-Erbil, Erbil, 44002, Iraq
;
Abstract:Structural Chemistry - Binding affinity and intermolecular interactions are essential characteristics that could be used to comprehend molecular recognition between molecules in supramolecular...
Keywords:
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