Interactions between carbon nanotubes and external structures of SARS-CoV-2 using molecular docking and molecular dynamics

Autor: Lobato, Júlio Cesar Mendes, Arouche, Tiago da Silva, Nero, Jordan Del, Filho, TarcisoAndrade, Borges, Rosivaldo dos Santos, Neto, Antonio Maia de Jesus Chaves

Publikováno v: In Journal of Molecular Structure 15 August 2023 1286

SARS-CoV-2 external structures interacting with nanospheres using docking and molecular dynamics.

Autor: Martins da Silva, Anderson Yuri, Arouche, Tiago da Silva, Siqueira, Marcelo Ricardo Souza, Ramalho, Teodorico Castro, de Faria, Lenio Jose Guerreiro, Gester, Rodrigo do Monte, Carvalho Junior, Raul Nunes de, Santana de Oliveira, Mozaniel, Neto, Antonio Maia de Jesus Chaves

Publikováno v: Journal of Biomolecular Structure & Dynamics; 2024, Vol. 42 Issue 19, p9892-9907, 16p

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Molecular Docking of Azithromycin, Ritonavir, Lopinavir, Oseltamivir, Ivermectin and Heparin Interacting with Coronavirus Disease 2019 Main and Severe Acute Respiratory Syndrome Coronavirus-2 3C-Like Proteases.

Autor: Arouche TDS; Laboratory of Preparation and Computation of Nanomaterials (LPCN), Federal University of Pará, C. P. 479, 66075-110 Belem, PA, Brazil., Martins AY; Laboratory of Preparation and Computation of Nanomaterials (LPCN), Federal University of Pará, C. P. 479, 66075-110 Belem, PA, Brazil., Ramalho TC; Federal University of Lavras (UFLA), Chemistry Department, 37200-000 - Lavras, MG, Brazil., Júnior RNC; Post-Graduation Program in Engineering of Natural Resources of the Amazon, Institute of Technology (ITEC), Federal University of Pará, C. P. 2626, 66.050-540, Belem, PA, Brazil., Costa FLP; Universidade Federal de Jataí. Rodovia BR-364, 75.8016-15 - Jataí, GO - Brazil., Filho TSA; Federal University of the South and Southeast of Pará. FL 17, QD 04, LT Especial, New Marabá, 68.505-080 - Marabá, PA - Brazil., Neto AMJC; Laboratory of Preparation and Computation of Nanomaterials (LPCN), Federal University of Pará, C. P. 479, 66075-110 Belem, PA, Brazil.

Publikováno v: Journal of nanoscience and nanotechnology [J Nanosci Nanotechnol] 2021 Apr 01; Vol. 21 (4), pp. 2075-2089.