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Inside Cover: Structural and Dynamic Properties of Monoclonal Antibodies Immobilized on CNTs: A Computational Study (Chem. Eur. J. 37/2013)
Author(s) -
De Leo Federica,
Sgrignani Jacopo,
Bonifazi Davide,
Magistrato Alessandra
Publication year - 2013
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201390140
Subject(s) - bioconjugation , carbon nanotube , monoclonal antibody , molecular dynamics , covalent bond , chemistry , cover (algebra) , adsorption , cetuximab , nanotechnology , materials science , antibody , combinatorial chemistry , computational chemistry , organic chemistry , mechanical engineering , engineering , immunology , biology
All‐atom explicit solvent molecular dynamics (MD) simulations used to investigate the structural and dynamic properties of a bioconjugate hybrid are reported by D. Bonifazi, A. Magistrato et al. in their Full Paper on p. 12281 ff. This hybrid contains a monoclonal Cetuximab antibody (Ctx) that is non‐covalently adsorbed on a carbon nanotube exosurface. The simulations show that the antibody preferentially adopts a unique pose, in which a maximal exposure of the residues to the graphitic surface is accomplished.