Multiscale Simulations Examining Glycan Shield Effects on Drug Binding to Influenza Neuraminidase
Christian Seitz, Lorenzo Casalino, Robert Konečný, Gary Huber, Rommie E. Amaro, J. Andrew McCammon
Topics & Concepts
NeuraminidaseGlycanBinding siteLigand (biochemistry)ChemistryIn silicoReceptor–ligand kineticsNeuraminidase inhibitorPlasma protein bindingBiophysicsInfluenza A virusGlycoproteinBiochemistryBiologyVirologyEnzymeVirusMedicineReceptorDiseaseInfectious disease (medical specialty)Coronavirus disease 2019 (COVID-19)PathologyGeneInfluenza Virus Research StudiesMonoclonal and Polyclonal Antibodies ResearchGlycosylation and Glycoproteins Research