期刊
CURRENT OPINION IN COLLOID & INTERFACE SCIENCE
卷 41, 期 -, 页码 66-73出版社
ELSEVIER SCIENCE LONDON
DOI: 10.1016/j.cocis.2018.12.001
关键词
-
资金
- CNR-Istituto Nanoscienze, Italy [GAE PUSEED04]
- Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy [CNMS2018-338]
- Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
Understanding protein interactions with inorganic nanoparticle is central to the rational design of new tools in biomaterial sciences, nanobiotechnology, and nanomedicine. Theoretical modeling and simulations provide complementary approaches for experimental studies and are applied for exploring protein-particle surface-binding mechanisms, the determinants of binding specificity toward different surfaces, and the thermodynamics and kinetics of adsorption. The use of multiscale approaches is inevitable because the adsorption events extend over a wide range of time and length scales, which require the system to be addressed at different resolution levels. Here, we review the latest advances in coarse-grained treatment of these systems, usually addressed using residue-level resolution for proteins and mesoscale for the nanoparticle. We illustrate the parameterization strategies, focusing on those combining experimental and atomistic simulation data, within the theoretical framework of multiscale approaches.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据