Molecular and electronic properties of HIV-1 protease inhibitor C 60 derivatives as studied by the ONIOM method

Journal of Molecular Structure: THEOCHEM

Volumn 715, Issue 1-3, 2005, Pages 47-53

  Promsri, Siriporn ^a   Chuichay, Parawan ^a   Sanghiran, Vannajan ^b   Parasuk, Vudhichai ^a   Hannongbua, Supot ^a  

^a CHULALONGKORN UNIVERSITY   (Thailand)

^b CHIANG MAI UNIVERSITY   (Thailand)

Author keywords

C60 derivatives; Electronic properties; Molecular properties; ONIOM

Indexed keywords

CARBON; FULLERENE DERIVATIVE; FUNCTIONAL GROUP; HYDROGEN; HYDROXYL GROUP; OXYGEN; PROTEINASE INHIBITOR; VIRUS ENZYME;

ANALYTIC METHOD; ARTICLE; ATOM; CHEMICAL BOND; DENSITY FUNCTIONAL THEORY; DRUG MECHANISM; ELECTROCHEMISTRY; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROPHOBICITY; LIPOPHILICITY; PROTEIN INTERACTION; QUANTUM CHEMISTRY; STRUCTURE ANALYSIS;

EID: 13944283878     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.10.052     Document Type: Article

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