Litcius/Paper detail

Screening of Potential Inhibitors Targeting the Main Protease Structure of SARS-CoV-2 via Molecular Docking, and Approach with Molecular Dynamics, RMSD, RMSF, H-Bond, SASA and MMGBSA

Aluísio Marques da Fonseca, Bernardino Joaquim Caluaco, Junilson Martinho Canjanja Madureira, Sadrack Queque Cabongo, Eduardo Menezes Gaieta, Faustino Djata, Regilany Paulo Colares, Moises Maia Neto, Carla Freire Celedônio Fernandes, Gabrielle Silva Marinho, Hélcio Silva dos Santos, Emmanuel Silva Marinho

2023Molecular Biotechnology190 citationsDOI

Topics & Concepts

SasaDocking (animal)Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Molecular dynamicsCoronavirus disease 2019 (COVID-19)VirologyChemistryBiologyComputational biologyMedicineComputational chemistryInfectious disease (medical specialty)PaleontologyDiseaseNursingPathologyComputational Drug Discovery MethodsSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds
Screening of Potential Inhibitors Targeting the Main Protease Structure of SARS-CoV-2 via Molecular Docking, and Approach with Molecular Dynamics, RMSD, RMSF, H-Bond, SASA and MMGBSA | Litcius