标题：A molecular dynamics study on the adsorption of a mussel protein on two different films: Polymer film and a SAM
作者：He, Cunxue; Zhang, Heng; Lin, Cunguo; Wang, Li; Yuan, Shiling
作者机构：[He, Cunxue; Zhang, Heng; Yuan, Shiling] Shandong Univ, Key Lab Colloid & Interface Chem, 27 Shanda South Rd, Jinan 250100, Peoples R China.; [He, C 更多
通讯作者地址：[Yuan, SL]Shandong Univ, Key Lab Colloid & Interface Chem, 27 Shanda South Rd, Jinan 250100, Peoples R China.
来源：CHEMICAL PHYSICS LETTERS
关键词：Molecular dynamics; Protein adsorption; Mussel protein; PDMS; C7F16-SAM
摘要：The adhesion of marine life would produce a certain degree of corrosion effect on the hull surface. Shellfish organisms, such as barnacles and mussels, were always used to research the impediment of coating material to protein adsorption. In this work, the adsorbed behaviors of mussel protein on the PDMS and C7F16-SAM surfaces were explored by molecular dynamics (MD) simulations. Simulation results showed that protein was strongly adsorbed onto the hydrophobic surface, as reflected by the large interactimi energy; while the adsorption onto the hydrophilic PDMS surface was weak due to two strongly adhered water layers. (C) 2017 Elsevier B.V. All rights reserved.