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Molecular Dynamics Simulation of Lysozyme Adsorption/Desorption on Hydrophobic Surfaces

In this work we present a series of fully atomistic molecular dynamics (MD) simulations to study lysozyme’s orientation-dependent adsorption on polyethylene (PE) surface in explicit water. The simulations show that depending on the orientation of the initial approach to the surface the protein may a...

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Sonraí Bibleagrafaíochta
Main Authors: Wei, Tao, Carignano, Marcelo A., Szleifer, Igal
Formáid: Artigo
Teanga:Inglês
Foilsithe: 2012
Ábhair:
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC3548063/
https://ncbi.nlm.nih.gov/pubmed/22882159
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp304057e
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