Molecular dynamics simulations of a nucleoside analogue of 1,4-dihydro-4-oxoquinoline-3-carboxylic acid synthesized as a potential antiviral agent: Conformational studies in vacuum and in water

Journal of Molecular Structure: THEOCHEM

Volumn 778, Issue 1-3, 2006, Pages 97-103

  Yoneda, Julliane Diniz ^a   Albuquerque, Magaly Girão ^b   Leal, Kátia Zaccur ^a   Seidl, Peter R ^b   Wheeler, Ralph A ^c   Boesch, Scott E ^c   de Alencastro, Ricardo Bicca ^b   de Souza, Maria Cecília B V ^a   Ferreira, Vitor F ^a  

^a FLUMINENSE FEDERAL UNIVERSITY   (Brazil)

^b FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^c UNIVERSITY OF OKLAHOMA   (United States)

Author keywords

AMBER; Conformational analysis; HSV; Molecular dynamics simulation; Nucleoside

Indexed keywords

EID: 33750844839     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.08.047     Document Type: Article

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