Evaluating the Molecular - Electronic Structure and the Antiviral Effect of Functionalized Heparin on Graphene Oxide Through Ab Initio Computer Simulations and Molecular Docking

André Flores dos Santos, Mirkos Ortiz Martins, Mariana Zancan Tonel, Solange Binotto Fagan. Evaluating the Molecular - Electronic Structure and the Antiviral Effect of Functionalized Heparin on Graphene Oxide Through Ab Initio Computer Simulations and Molecular Docking. In Marcelo da Silva Reis, Raquel Cardoso de Melo Minardi, editors, Advances in Bioinformatics and Computational Biology - 16th Brazilian Symposium on Bioinformatics, BSB 2023, Curitiba, Brazil, June 13-16, 2023, Proceedings. Volume 13954 of Lecture Notes in Computer Science, pages 25-35, Springer, 2023. [doi]