基本信息
浏览量:9
职业迁徙
个人简介
The research in my group aims to understand reaction mechanisms of metallozymes, including cysteine
dioxygenase, cytochrome P450 and non-heme iron dioxygenases, using combination of computational techniques
(density functional theory, quantum mechanics/molecular mechanics, molecular dynamics). These enzymes
catalyze vital functions for human health, but their mechanisms are still partially unresolved mainly due to the
short-lifetime of catalytic intermediates. Furthermore, seemingly minor changes to the structure of these enzymes
lead to dramatic functional differences. In order to gain insight into the function of these enzymes and their
applicability for biotechnological applications, we investigate and characterized short-lived intermediates in the
catalytic cycle of these enzymes. In particular, the very versatile cytochrome P450s show varying reactivity patterns
with substrates but its isozymes do not give consistent product distributions. Currently, our research is focused into
the effects of the intrinsic chemical properties of substrate and oxidant, whereby we are trying to find correlations
between rate constant and substrate properties. In addition, the quantum mechanics/molecular mechanics method
is applied to gain insight into drug metabolism mechanism by heme and non-heme type metallozymes.
dioxygenase, cytochrome P450 and non-heme iron dioxygenases, using combination of computational techniques
(density functional theory, quantum mechanics/molecular mechanics, molecular dynamics). These enzymes
catalyze vital functions for human health, but their mechanisms are still partially unresolved mainly due to the
short-lifetime of catalytic intermediates. Furthermore, seemingly minor changes to the structure of these enzymes
lead to dramatic functional differences. In order to gain insight into the function of these enzymes and their
applicability for biotechnological applications, we investigate and characterized short-lived intermediates in the
catalytic cycle of these enzymes. In particular, the very versatile cytochrome P450s show varying reactivity patterns
with substrates but its isozymes do not give consistent product distributions. Currently, our research is focused into
the effects of the intrinsic chemical properties of substrate and oxidant, whereby we are trying to find correlations
between rate constant and substrate properties. In addition, the quantum mechanics/molecular mechanics method
is applied to gain insight into drug metabolism mechanism by heme and non-heme type metallozymes.
研究兴趣
论文共 188 篇作者统计合作学者相似作者
按年份排序按引用量排序主题筛选期刊级别筛选合作者筛选合作机构筛选
时间
引用量
主题
期刊级别
合作者
合作机构
INORGANIC CHEMISTRYno. 15 (2024): 6752-6766
Macromolecular Symposiano. 2 (2024)
MOLECULAR SIMULATIONno. 4 (2024): 308-321
ACS omegano. 25 (2023): 23226-23226
Physical chemistry chemical physics : PCCPno. 13 (2023): 9576-9585
加载更多
作者统计
合作学者
合作机构
D-Core
- 合作者
- 学生
- 导师
数据免责声明
页面数据均来自互联网公开来源、合作出版商和通过AI技术自动分析结果,我们不对页面数据的有效性、准确性、正确性、可靠性、完整性和及时性做出任何承诺和保证。若有疑问,可以通过电子邮件方式联系我们:report@aminer.cn