Adsorption of Fibronectin Fragment on Surfaces Using Fully Atomistic Molecular Dynamics Simulations

The effect of surface chemistry on the adsorption characteristics of a fibronectin fragment (FNIII ) was investigated using fully atomistic molecular dynamics simulations. Model surfaces were constructed to replicate self-assembled monolayers terminated with methyl, hydroxyl, amine, and carboxyl moi...

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Veröffentlicht in:	International journal of molecular sciences 2018-10, Vol.19 (11), p.3321
Hauptverfasser:	Liamas, Evangelos, Kubiak-Ossowska, Karina, Black, Richard A, Thomas, Owen R T, Zhang, Zhenyu J, Mulheran, Paul A
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Amino acids Binding Binding sites Biomedical materials Electrostatic properties Fibronectin Fibronectins - chemistry Fibronectins - metabolism Hydrophobic and Hydrophilic Interactions Hydrophobic surfaces Kinetics Molecular dynamics Molecular Dynamics Simulation Protein Binding Protein Structure, Secondary Protein Structure, Tertiary Proteins Residues Self-assembled monolayers Self-assembly Simulation Solvents Static Electricity Surface chemistry Water chemistry
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