Conformational phase diagram for proteins absorbed on ultra-small nanoparticles studied by a structure-based coarse-grained model
Conformational phase diagram for proteins absorbed on ultra-small nanoparticles studied by a structure-based coarse-grained model
复制标题
通过基于结构的粗粒模型研究超小纳米颗粒上吸附的蛋白质的构象相图
DOI：
10.1080/08927022.2014.964234
复制
发表时间：
2015-09
影响因子：
2.1
通讯作者：
Wang, Wei
中科院分区：
文献类型：
--
作者：
Guo, Xinlu;Wang, Jun;Zhang, Jian;Wang, Wei
生物纳米技术是将生物分子与纳米材料相结合，研究和生产新型功能材料或微型器件的一个新兴领域。在这个时代，有必要研究蛋白质和纳米颗粒（NPs）之间的相互作用，这是两个典型的生物纳米物体的构建块。使用基于结构的粗粒度模型和分子模拟，我们研究了蛋白质的结构，结合界面和动力学如何受到纳米粒子的存在。对于不同的蛋白质和纳米粒子的组合，构象相图，并发现含有四个构象相，包括两个折叠和两个未折叠的阶段。在折叠阶段，-片层的形成往往是由NP增强，而-螺旋的不是。这一现象的潜在机制归因于-片的几何形状和柔性。在这项研究中获得的知识是有用的理解纳米粒子和蛋白质之间的相互作用，这可能有助于设计新的生物纳米材料或设备。
Bio-nanotechnology has become a thriving area of research and production of novel functional materials or tiny devices by combining biomolecules and nanomaterials. In this age, it is necessary to investigate the interaction between proteins and nanoparticles (NPs), which are two typical building blocks for bio-nanoobjects. Using a structure-based coarse-grained model and molecular simulations, we studied how the protein structures, the binding interface and kinetics are affected by the presence of NPs. For different combinations of proteins and NPs, conformational phase diagrams were obtained and were found containing four conformational phases, including two folded and two unfolded phases. In the folded phases, the formation of -sheets was often enhanced by the NP, while that of -helix was not. The underlying mechanism of the phenomenon was attributed to the geometry and flexibility of the -sheets. The knowledge gained in this study is useful for understanding the interactions between NPs and proteins which may facilitate designing new bio-nanomaterials or devices.
登录
查看更多内容
影响因子：
10.8
作者：
K. Goede;P. Busch;M. Grundmann
通讯作者：
K. Goede;P. Busch;M. Grundmann
影响因子：
4.1
作者：
S. Sane;S. Cramer;T. Przybycien
通讯作者：
S. Sane;S. Cramer;T. Przybycien
影响因子：
56.9
作者：
O'Connell, MJ;Bachilo, SM;Smalley, RE
通讯作者：
Smalley, RE
影响因子：
3.3
作者：
Chiu, Chi-cheng;Dieckmann, Gregg R.;Nielsen, Steven O.
通讯作者：
Nielsen, Steven O.
影响因子：
3
作者：
Sun, Yu;Dominy, Brian N.;Latour, Robert A.
通讯作者：
Latour, Robert A.