The hydration layer of the enzyme in the bulk gas phase has great effects on its catalytic performance. Molecular dynamics(MD) simulations at all-atom level was applied to investigate the effects of the hydration layer thickness on the diffusion of carbon dioxide molecules into the active site of a carbonic anhydrase enzyme from a bulk gas phase. Based on the distribution of water molecules surrounding the carbonic anhydrase enzyme, the effects of the hydration layer thickness on the protein structure and C...
【基金】
国家自然科学基金项目(21028006)~~
【更新日期】
2015-08-31
【分类号】
TQ021;O629.8
【正文快照】
联系人:卢滇楠,刘铮。第一作者:陈功(1991—),男,博士研究生。Received date:2015-06-01.Corresponding author:LU Diannan,ludiannan@tsinghua.edu.cn;LIUZheng,liuzheng@mail.tsinghua.edu.cnFoundation item:supported by the National Natural Science Foundationof China(
| 
推荐 
点击下列相关研究机构和相关文献作者，可以直接查到这些机构和作者被《中国知识资源总库》收录的其它文献，使您全面了解该机构和该作者的研究动态和历史。
