title: Generation-dependent molecular recognition controls self-assembly in supramolecular dendron-virus complexes.
abstract: In this work molecular dynamics simulation identifies a clear link between the dendron-virus multivalent molecular recognition and the nature of the consequent self-assembly. Data demonstrate how a weak hydrophobic association is transformed in an electrostatic self-assembly, orders of magnitude stronger, depending on the dendron generation used to assemble the viruses. This opens a new frontier in the engineering of hierarchical self-assemblies, potentially enabling the control of the supramolecular properties by acting at the single-molecule level.
authors.affiliation: University of Applied Sciences of Southern Switzerland (SUPSI)-Mathematical and Physical Sciences Research Unit (SMF), Manno, Switzerland.
authors.forename: Giovanni
authors.initials: G
authors.lastname: Doni
authors.forename: Mauri A
authors.initials: MA
authors.lastname: Kostiainen
authors.forename: Andrea
authors.initials: A
authors.lastname: Danani
authors.forename: Giovanni M
authors.initials: GM
authors.lastname: Pavan
mesh_terms: D003198:Computer Simulation; D008954:Models, Biological; D008956:Models, Chemical; D008958:Models, Molecular; D014771:Virion / Q000737:chemistry* / Q000648:ultrastructure*; D019065:Virus Assembly / Q000502:physiology*