Quantum and molecular mechanical Monte Carlo techniques for modeling condensed‐phase reactions-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Quantum and molecular mechanical Monte Carlo techniques for modeling condensed‐phase reactions

Published:2014-02-12 Issue:5 Volume:4 Page:422-435
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Acevedo Orlando¹,Jorgensen Wiliiam L.²

Affiliation:

1. Department of Chemistry and BiochemistryAuburn UniversityAuburnALUSA

2. Department of ChemistryYale UniversityNew HavenCTUSA

Funder

National Science Foundation

National Institutes of Health

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1180

Reference98 articles.

1. Advances in Quantum and Molecular Mechanical (QM/MM) Simulations for Organic and Enzymatic Reactions

2. Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology

3. QM/MM: what have we learned, where are we, and where do we go from here?

4. Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies

5. AB INITIO QUANTUM CHEMICAL AND MIXED QUANTUM MECHANICS/MOLECULAR MECHANICS (QM/MM) METHODS FOR STUDYING ENZYMATIC CATALYSIS

Cited by 44 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. Monte Carlo QM/MM simulation studies of the Cannizzaro reaction in ionic liquids for improved biofuel production;The Journal of Chemical Physics;2024-08-28

2. On the“Staple” Effect in the d-Glucose Acetylation by Choline-Chloride Ethylene Glycol and Choline-Chloride Urea Deep Eutectic Solvents;The Journal of Physical Chemistry B;2024-07-30

3. PyDFT-QMMM: A modular, extensible software framework for DFT-based QM/MM molecular dynamics;The Journal of Chemical Physics;2024-07-15

4. Novel Insights into the Catalytic Mechanism of Collagenolysis by Zn(II)-Dependent Matrix Metalloproteinase-1;Biochemistry;2024-07-04

5. Modeling of Magnetic Films: A Scientific Perspective;Materials;2024-03-21

同舟云学术

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