Albumin (BSA) Adsorption over Graphene in Aqueous Environment: Influence of Orientation, Adsorption Protocol, and Solvent Treatment.
作者： J. G. Vilhena , Pamela Rubio-Pereda , Perceval Vellosillo , P. A. Serena , Rubén Pérez
DOI: 10.1021/ACS.LANGMUIR.5B03170
关键词: Aqueous solution 、 Albumin 、 Chemistry 、 Solvent 、 Bsa adsorption 、 Graphene 、 Nanotechnology 、 Work (thermodynamics) 、 Adsorption 、 Thermodynamics 、 Orientation (vector space)
摘要: We report 150 ns explicit solvent MD simulations of the adsorption on graphene albumin (BSA) in two orientations and using different protocols, i.e., free forced adsorption. Our results show that occurs with little structural rearrangements. Even taking to an extreme, by forcing it a 5 nN downward force applied during initial 20 ns, we along particular orientation BSA is able preserve properties majority its binding sites. Furthermore, all cases considered this work, ibuprofen site has shown strong resilience changes. Finally, compare these implicit find latter predicts extreme protein unfolding upon The origin discrepancy attributed poor description water entropic forces at interfaces methods.
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