Evaluation interaction of graphene oxide with heparin for antiviral blockade: a study of ab initio simulations, molecular docking, and experimental analysis.

Autor: Dos Santos AF; Postgraduate Program in Nanoscience: Laboratory of Simulation and Modeling of Nanomaterials-LASIMON, Franciscan University-UFN, Andradas Street, 1614, Santa Maria, RS, 97010-030, Brazil. andre.santos@ufn.edu.br., Martins MO; Postgraduate Program in Nanoscience: Laboratory of Simulation and Modeling of Nanomaterials-LASIMON, Franciscan University-UFN, Andradas Street, 1614, Santa Maria, RS, 97010-030, Brazil., Lameira J; Institute of Biological Sciences, Federal University of Pará-UFPA, Belém, PA, Brazil., de Oliveira Araújo J; Institute of Biological Sciences, Federal University of Pará-UFPA, Belém, PA, Brazil., Frizzo MS; Postgraduate Program in Chemical Engineering-PosENQ, Federal University of Santa Catarina-UFSC, Florianopolis, SC, Brazil., Davidson CB; Postgraduate Program in Nanosciences: Laboratory of Cell Culture and Bioactive Effects, Franciscan University-UFN, Santa Maria, RS, Brazil., de Souza DV; Postgraduate Program in Nanosciences: Laboratory of Cell Culture and Bioactive Effects, Franciscan University-UFN, Santa Maria, RS, Brazil., Machado AK; Postgraduate Program in Nanosciences: Laboratory of Cell Culture and Bioactive Effects, Franciscan University-UFN, Santa Maria, RS, Brazil., Mortari SR; Postgraduate Program in Nanoscience: Laboratory of Simulation and Modeling of Nanomaterials-LASIMON, Franciscan University-UFN, Andradas Street, 1614, Santa Maria, RS, 97010-030, Brazil., Druzian DM; Postgraduate Program in Nanoscience: Laboratory of Simulation and Modeling of Nanomaterials-LASIMON, Franciscan University-UFN, Andradas Street, 1614, Santa Maria, RS, 97010-030, Brazil., Tonel MZ; Postgraduate Program in Nanoscience: Laboratory of Simulation and Modeling of Nanomaterials-LASIMON, Franciscan University-UFN, Andradas Street, 1614, Santa Maria, RS, 97010-030, Brazil., da Silva IZ; Postgraduate Program in Nanoscience: Laboratory of Simulation and Modeling of Nanomaterials-LASIMON, Franciscan University-UFN, Andradas Street, 1614, Santa Maria, RS, 97010-030, Brazil., Fagan SB; Postgraduate Program in Nanoscience: Laboratory of Simulation and Modeling of Nanomaterials-LASIMON, Franciscan University-UFN, Andradas Street, 1614, Santa Maria, RS, 97010-030, Brazil.

Publikováno v: Journal of molecular modeling [J Mol Model] 2023 Jul 07; Vol. 29 (8), pp. 235. Date of Electronic Publication: 2023 Jul 07.