UM  > 科技學院  > 電機及電腦工程系
ProtPOS: A python package for the prediction of protein preferred orientation on a surface
Ngai J.C.F.; Mak P.-I.; Siu S.W.I.
2016-08-15
Source PublicationBioinformatics
ISSN14602059 13674803
Volume32Issue:16Pages:2537-2538
AbstractSummary: Atomistic molecular dynamics simulation is a promising technique to investigate the energetics and dynamics in the protein-surface adsorption process which is of high relevance to modern biotechnological applications. To increase the chance of success in simulating the adsorption process, favorable orientations of the protein at the surface must be determined. Here, we present ProtPOS which is a lightweight and easy-to-use python package that can predict low-energy protein orientations on a surface of interest. It combines a fast conformational sampling algorithm with the energy calculation of GROMACS. The advantage of ProtPOS is it allows users to select any force fields suitable for the system at hand and provide structural output readily available for further simulation studies.
DOI10.1093/bioinformatics/btw182
URLView the original
Language英語
Fulltext Access
Citation statistics
Cited Times [WOS]:3   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionDEPARTMENT OF ELECTRICAL AND COMPUTER ENGINEERING
AffiliationUniversidade de Macau
Recommended Citation
GB/T 7714
Ngai J.C.F.,Mak P.-I.,Siu S.W.I.. ProtPOS: A python package for the prediction of protein preferred orientation on a surface[J]. Bioinformatics,2016,32(16):2537-2538.
APA Ngai J.C.F.,Mak P.-I.,&Siu S.W.I..(2016).ProtPOS: A python package for the prediction of protein preferred orientation on a surface.Bioinformatics,32(16),2537-2538.
MLA Ngai J.C.F.,et al."ProtPOS: A python package for the prediction of protein preferred orientation on a surface".Bioinformatics 32.16(2016):2537-2538.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Ngai J.C.F.]'s Articles
[Mak P.-I.]'s Articles
[Siu S.W.I.]'s Articles
Baidu academic
Similar articles in Baidu academic
[Ngai J.C.F.]'s Articles
[Mak P.-I.]'s Articles
[Siu S.W.I.]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Ngai J.C.F.]'s Articles
[Mak P.-I.]'s Articles
[Siu S.W.I.]'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.