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Current trends in molecular modeling methods applied to the study of cyclodextrin complexes
(Springer, 2018-02)
In this review the authors present an overview of different molecular modeling campaigns dealing with the study and characterization of cyclodextrins (CDs) inclusion complexes with applicability to diverse biomedical and ...
Complexes of Nile Red and - or -cyclodextrin: A semiempirical-density functional theory-molecular dynamics route
(Universidad de Belgrano - Facultad de Ciencias Exactas y Naturales - Proyectos de Investigación, 2012)
The association of Nile Red (NR) with -, and -cyclodextrins (CDs) was analyzed by semiempirical
parametric method 3 (PM3), density functional theory-Becke, three-parameter, Lee-Yang-Parr hybrid
functional (DFT-B3LYP/6-31G), ...
The effect of guest molecules on the conformation and molecular assembly of the fac-[RuCl3(NO)(dppb)] complex
(Elsevier BVAmsterdam, 2013-09)
This paper describes the occurrence of two crystalline solvate forms of the nitrosyl ruthenium complex fac-[RuCl3(NO)(dppb)] (dppb = 1,4-bis(diphenylphosphino)butane), and the role of acetone and chloroform inclusions on ...
Molecular support for the establishment of the new genus Laurenciella within the Laurencia complex (Ceramiales, Rhodophyta)
(WALTER DE GRUYTER & COBERLIN, 2012)
Currently, five genera are assigned to red seaweeds of the Laurencia complex worldwide: Chondrophycus, Laurencia s.s., Osmundea, Palisada and Yuzurua. The genera are segregated on the basis of morphological characters, ...
Host-guest complexation of a nitroheterocyclic compound with cyclodextrins: a spectrofluorimetric and molecular modeling study
(Springer, 2010-04-01)
Nitroheterocyclic compounds (NC) were candidate drugs proposed for Chagas disease chemotherapy. In this study, we investigated the complexation of hydroxymethylnitrofurazone (NFOH), a potential antichagasic compound, with ...
Host-guest complexation of a nitroheterocyclic compound with cyclodextrins: a spectrofluorimetric and molecular modeling study
(Springer, 2010-04-01)
Nitroheterocyclic compounds (NC) were candidate drugs proposed for Chagas disease chemotherapy. In this study, we investigated the complexation of hydroxymethylnitrofurazone (NFOH), a potential antichagasic compound, with ...
Complexation between darunavir ethanolate and beta cyclodextrin: experimental and theoretical studies
(2014)
Darunavir (DRV) is a protease inhibitor used in the treatment of HIV infection, which constitutes a keystone in the therapy of patients infected with this virus. Unfortunately, DRV has low solubility in water and poor ...