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Effect of nelfinavir stereoisomers on coronavirus main protease: Molecular docking, molecular dynamics simulation and MM/GBSA study

Mohsen Sargolzaei

2020Journal of Molecular Graphics and Modelling45 citationsDOIOpen Access PDF

Topics & Concepts

NelfinavirDiastereomerHydrogen bondDocking (animal)ChemistryMolecular dynamicsStereochemistryAutoDockProteaseMolecular mechanicsComputational chemistryMoleculeBiochemistryEnzymeOrganic chemistryBiologyVirusVirologyAntiretroviral therapyViral loadGeneIn silicoMedicineNursingComputational Drug Discovery MethodsProtein Structure and DynamicsNonlinear Optical Materials Research
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