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On the Interactions of Melatonin/ß-Cyclodextrin Inclusion Complex: A Novel Approach Combining Efficient Semiempirical Extended Tight-Binding (xTB) Results with Ab Initio Methods.
Ferrero, Riccardo; Pantaleone, Stefano; Delle Piane, Massimo; Caldera, Fabrizio; Corno, Marta; Trotta, Francesco; Brunella, Valentina.
Affiliation
  • Ferrero R; Dipartimento di Chimica and Nanostructured Interfaces and Surfaces (NIS) Centre, Università degli Studi di Torino, via P. Giuria 7, IT-10125 Torino, Italy.
  • Pantaleone S; Dipartimento di Chimica and Nanostructured Interfaces and Surfaces (NIS) Centre, Università degli Studi di Torino, via P. Giuria 7, IT-10125 Torino, Italy.
  • Delle Piane M; Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, via Elce di Sotto 8, I-06123 Perugia, Italy.
  • Caldera F; Politecnico di Torino, Department of Applied Science and Technology (DISAT), Corso Duca degli Abruzzi, 24, 10129 Torino, Italy.
  • Corno M; Dipartimento di Chimica and Nanostructured Interfaces and Surfaces (NIS) Centre, Università degli Studi di Torino, via P. Giuria 7, IT-10125 Torino, Italy.
  • Trotta F; Dipartimento di Chimica and Nanostructured Interfaces and Surfaces (NIS) Centre, Università degli Studi di Torino, via P. Giuria 7, IT-10125 Torino, Italy.
  • Brunella V; Dipartimento di Chimica and Nanostructured Interfaces and Surfaces (NIS) Centre, Università degli Studi di Torino, via P. Giuria 7, IT-10125 Torino, Italy.
Molecules ; 26(19)2021 Sep 28.
Article in En | MEDLINE | ID: mdl-34641423
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Drug Delivery Systems / Computational Biology / Beta-Cyclodextrins / Molecular Dynamics Simulation / Melatonin Limits: Humans Language: En Journal: Molecules Journal subject: BIOLOGIA Year: 2021 Document type: Article Affiliation country: Country of publication:
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Drug Delivery Systems / Computational Biology / Beta-Cyclodextrins / Molecular Dynamics Simulation / Melatonin Limits: Humans Language: En Journal: Molecules Journal subject: BIOLOGIA Year: 2021 Document type: Article Affiliation country: Country of publication: