Curious Binding Energy Increase between the Receptor-Binding Domain of the SARS-CoV-2 Spike Protein and Angiotensin-Converting Enzyme 2 Adsorbed on a Silane Monolayer from Molecular Dynamics Simulations

Autor: Yann Chevolot, Solène Lecot, Christelle Yeromonahos, Magali Phaner-Goutorbe

Publikováno v: The Journal of Physical Chemistry B. 125:11078-11090

In the context of the COVID-19 outbreak since December 2019, antigenic tests are widely used, for diagnosis purposes, to detect the SARS-CoV-2 spike protein in nasopharyngeal fluid through its interactions with specific antibodies. However, the SARS-

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fdd92ab0edb5614551dc0fa6d7b83b28
https://doi.org/10.1021/acs.jpcb.1c06050

Arrangement of Monofunctional Silane Molecules on Silica Surfaces: Influence of Alkyl Chain Length, Head-Group Charge, and Surface Coverage, from Molecular Dynamics Simulations, X-ray Photoelectron Spectroscopy, and Fourier Transform Infrared Spectroscopy

Autor: Vincent Jousseaume, Yann Chevolot, Solène Lecot, Christelle Yeromonahos, Thomas Gehin, Magali Phaner-Goutorbe, Antonin Lavigne, Claude Botella, Zihua Yang

Publikováno v: Journal of Physical Chemistry C
Journal of Physical Chemistry C, 2020, 124 (37), pp.20125-20134. ⟨10.1021/acs.jpcc.0c05349⟩
Journal of Physical Chemistry C, American Chemical Society, 2020, 124 (37), pp.20125-20134. ⟨10.1021/acs.jpcc.0c05349⟩

International audience; Surface chemical functionalization is used in analytical tools to immobilize biomolecules that will capture a specific analyte and also to reduce the nonspecific adsorption. Silane monolayers are widely used to functionalize s

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af4128854383dbc1f6e1671b1f19c159
https://hal.science/hal-03214427