Impact of Silane Monolayers on the Adsorption of Streptavidin on Silica and Its Subsequent Interactions with Biotin: Molecular Dynamics and Steered Molecular Dynamics Simulations

Solène Lecot (1) , Yann Chevolot (1) , Magali Phaner-Goutorbe (1) , Christelle Yeromonahos (2, 1)

1 INL - C&N - INL - Chimie et Nanobiotechnologies
2 INL - Institut des Nanotechnologies de Lyon

Domaines: Matériaux; Chimie théorique et/ou physique; Modélisation et simulation; Biophysique [physics.bio-ph]; Chimie-Physique [physics.chem-ph]

Solène Lecot, Yann Chevolot, Magali Phaner-Goutorbe, Christelle Yeromonahos. Impact of Silane Monolayers on the Adsorption of Streptavidin on Silica and Its Subsequent Interactions with Biotin: Molecular Dynamics and Steered Molecular Dynamics Simulations. Journal of Physical Chemistry B, 2020, 124, pp.6786 - 6796. ⟨10.1021/acs.jpcb.0c04382⟩. ⟨hal-03214424⟩