An Application of QM/MM Simulation: The Second Protonation of Cytochrome P450
Author:
Publisher
Springer Netherlands
Link
http://link.springer.com/content/pdf/10.1007/978-94-017-9245-5_18
Reference62 articles.
1. Warshel A, Levitt M (1976) Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme. J Mol Biol 103(2):227–249
2. Field MJ, Bash PA, Karplus M (1990) A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations. J Comput Chem 11(6):700–733
3. Théry V et al (1994) Quantum mechanical computations on very large molecular systems: the local self-consistent field method. J Comput Chem 15(3):269–282
4. Murphy RB, Philipp DM, Friesner RA (2000) A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments. J Comput Chem 21(16):1442–1457
5. Gao J et al (1998) A generalized hybrid orbital (GHO) method for the treatment of boundary atoms in combined QM/MM calculations. J Phys Chem A 102(24):4714–4721
Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Thermostability Mechanism for the Hyperthermophilicity of Extremophile Cellulase TmCel12A: Implied from Molecular Dynamics Simulation;The Journal of Physical Chemistry B;2016-07-20
2. Recent progresses of simulations on passive membrane permeations in China;Molecular Simulation;2016-04-04
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3