Multiprotein interactions during surface adsorption: a molecular dynamics study of lysozyme aggregation at a charged solid surface.
Multiprotein interactions during surface adsorption: a molecular dynamics study of lysozyme aggregation at a charged solid surface.
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DOI：
10.1021/jp1121239
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发表时间：
2011-07-21
影响因子：
3.3
通讯作者：
Mulheran, Paul A.
中科院分区：
文献类型：
--
作者：
Kubiak-Ossowska, Karina;Mulheran, Paul A.
采用全原子分子动力学模拟研究了蛋清溶菌酶在模型带电离子表面的多蛋白吸附。两个、三个和五个蛋白质在不同的表面方向上的模拟，在100ns的时间尺度上进行。在主要（Arg128和Arg125）和次要（Arg68）表面吸附位点发生点突变的突变蛋白也被研究。使用的100ns时间尺度足以观察蛋白质的平移，旋转，吸附和聚集。观察到两个相互竞争的过程，即表面吸附和蛋白质聚集。在低蛋白质浓度下，蛋白质首先孤立地吸附，然后在表面重新定向聚集。在高浓度下，蛋白质在溶液中聚集，然后以非特异性的方式吸附。这项工作证明了蛋白质浓度在吸附中的作用，指出了两种类型的相互作用（蛋白质-蛋白质和蛋白质-表面）所涉及的残基，并提供了在开发新的功能化材料系统中需要考虑的过程的见解。
Multiprotein adsorption of hen egg white lysozyme at a model charged ionic surface is studied using fully atomistic molecular dynamics simulations. Simulations with two, three, and five proteins, in various orientations with respect the surface, are performed over a 100 ns time scale. Mutated proteins with point mutations at the major (Arg128 and Arg125) and minor (Arg68) surface adsorption sites are also studied. The 100 ns time scale used is sufficient to observe protein translations, rotations, adsorption, and aggregation. Two competing processes of particular interest are observed, namely surface adsorption and protein–protein aggregation. At low protein concentration, the proteins first adsorb in isolation and can then reorientate on the surface to aggregate. At high concentration, the proteins aggregate in the solution and then adsorb in nonspecific ways. This work demonstrates the role of protein concentration in adsorption, indicates the residues involved in both types of interaction (protein–protein and protein–surface), and gives an insight into processes to be considered in the development of new functionalized material systems.
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什么控制蛋白质在带电固体表面的吸附和固定？
DOI：
10.1021/la101276v
发表时间：
2010-06-01
期刊：
Langmuir : the ACS journal of surfaces and colloids
影响因子：
--
作者：
Kubiak-Ossowska K;Mulheran PA
通讯作者：
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影响因子：
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发表时间：
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影响因子：
2.2
作者：
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