期刊
BIOINTERPHASES
卷 3, 期 3, 页码 FC2-FC12出版社
AMER INST PHYSICS
DOI: 10.1116/1.2965132
关键词
-
资金
- NIH [R01 EB006163, R01 GM074511, P41 EB001046]
- NSF
- Center for Advanced Engineering Fibers and Films (CAEFF)
- NSFERC [EPS-0296165]
While the importance of protein adsorption to materials surfaces is widely recognized, little is understood at this time regarding how to design surfaces to control protein adsorption behavior. All-atom empirical force field molecular simulation methods have enormous potential to address this problem by providing an approach to directly investigate the adsorption behavior of peptides and proteins at the atomic level. As with any type of technology, however, these methods must be appropriately developed and applied if they are to provide realistic and useful results. Three issues that are particularly important for the accurate simulation of protein adsorption behavior are the selection of a valid force field to represent the atomic-level interactions involved, the accurate representation of solvation effects, and system sampling. In this article, each of these areas is addressed and future directions for continued development are presented. (C) 2008 American Vacuum Society.[DOI: 10.1116/1.2965132]
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