Molecular dynamics simulations and MM-PBSA calculations of the cyclodextrin inclusion complexes with 1-alkanols, para-substituted phenols and substituted imidazoles

Journal of Molecular Structure: THEOCHEM

Volumn 853, Issue 1-3, 2008, Pages 45-52

  El Barghouthi, M I ^a   Jaime, C ^b   Al Sakhen, N A ^a   Issa, A A ^a   Abdoh, A A ^c   Al Omari, M M ^c   Badwan, A A ^c   Zughul, M B ^d  

^a HASHEMITE UNIVERSITY   (Jordan)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^c JORDANIAN PHARMACEUTICAL MANUFACTURING COMPANY   (Jordan)

^d UNIVERSITY OF JORDAN   (Jordan)

Author keywords

1 Alkanols; Cyclodextrin; Free energy; Inclusion complexes; MM PBSA; Molecular dynamics; Substituted imidazoles; Substituted phenols

Indexed keywords

EID: 40149102339     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.12.005     Document Type: Article

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