DICP OpenIR
Understanding enzyme reactions using enhanced sampling techniques
Cao, Liaoran1; Cheng, Liwei2; Tang, Tianbao3; Liu, Jiahui3; Zhang, Depeng3; Xu, Peijun3; Li, Guohui1
KeywordEnhanced Sampling Path Finding Enzyme Reactions Rare Events
Source PublicationMOLECULAR SIMULATION
2016
ISSN0892-7022
DOI10.1080/08927022.2015.1132316
Volume42Issue:10Pages:846-854
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordFREE-ENERGY CALCULATIONS ; ACCELERATED MOLECULAR-DYNAMICS ; COUPLED PROMOTING MOTIONS ; HISTOGRAM ANALYSIS METHOD ; ELASTIC BAND METHOD ; REPLICA-EXCHANGE ; MONTE-CARLO ; TRANSITION-STATES ; CONFORMATIONAL TRANSITIONS ; SIMULATION METHOD
AbstractEnhanced sampling is an essential and powerful tool to study complex biochemical processes, notably macromolecular conformational change and chemical reactions. Here we review basic components of some milestones of sampling techniques, focusing especially on the use in understanding enzyme reactions, including reaction path finding, free energy surface construction.
Language英语
WOS IDWOS:000374778500008
PublisherTAYLOR & FRANCIS LTD
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/170805
Collection中国科学院大连化学物理研究所
Corresponding AuthorXu, Peijun; Li, Guohui
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Lab Mol Modeling & Design, Dalian, Peoples R China
2.Liaohe Oil Field Gen Hosp, Panjin, Peoples R China
3.Liaoning Normal Univ, Sch Phys & Elect Technol, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Cao, Liaoran,Cheng, Liwei,Tang, Tianbao,et al. Understanding enzyme reactions using enhanced sampling techniques[J]. MOLECULAR SIMULATION,2016,42(10):846-854.
APA Cao, Liaoran.,Cheng, Liwei.,Tang, Tianbao.,Liu, Jiahui.,Zhang, Depeng.,...&Li, Guohui.(2016).Understanding enzyme reactions using enhanced sampling techniques.MOLECULAR SIMULATION,42(10),846-854.
MLA Cao, Liaoran,et al."Understanding enzyme reactions using enhanced sampling techniques".MOLECULAR SIMULATION 42.10(2016):846-854.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Cao, Liaoran]'s Articles
[Cheng, Liwei]'s Articles
[Tang, Tianbao]'s Articles
Baidu academic
Similar articles in Baidu academic
[Cao, Liaoran]'s Articles
[Cheng, Liwei]'s Articles
[Tang, Tianbao]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Cao, Liaoran]'s Articles
[Cheng, Liwei]'s Articles
[Tang, Tianbao]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.