Residential College | false |
Status | 已發表Published |
TMDIM: an improved algorithm for the structure prediction of transmembrane domains of bitopic dimers | |
Cao, Han![]() ![]() ![]() ![]() | |
2017-09 | |
Source Publication | JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
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ISSN | 0920-654X |
Volume | 31Issue:9Pages:855-865 |
Abstract | alpha-Helical transmembrane proteins are the most important drug targets in rational drug development. However, solving the experimental structures of these proteins remains difficult, therefore computational methods to accurately and efficiently predict the structures are in great demand. We present an improved structure prediction method TMDIM based on Park et al. (Proteins 57:577-585, 2004) for predicting bitopic transmembrane protein dimers. Three major algorithmic improvements are introduction of the packing type classification, the multiple-condition decoy filtering, and the cluster-based candidate selection. In a test of predicting nine known bitopic dimers, approximately 78% of our predictions achieved a successful fit (RMSD < 2.0 angstrom) and 78% of the cases are better predicted than the two other methods compared. Our method provides an alternative for modeling TM bitopic dimers of unknown structures for further computational studies. TMDIM is freely available on the web at https://cbbio.cis.umac.mo/TMDIM. Website is implemented in PHP, MySQL and Apache, with all major browsers supported. |
Keyword | Structure Prediction Bitopic Dimer Helix Packing Helix Assembly Scwrl4 Bioinformatics |
DOI | 10.1007/s10822-017-0047-0 |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Biochemistry & Molecular Biology ; Biophysics ; Computer Science |
WOS Subject | Biochemistry & Molecular Biology ; Biophysics ; Computer Science, Interdisciplinary Applications |
WOS ID | WOS:000412668900007 |
Publisher | SPRINGER |
The Source to Article | WOS |
Scopus ID | 2-s2.0-85028749928 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | DEPARTMENT OF COMPUTER AND INFORMATION SCIENCE |
Recommended Citation GB/T 7714 | Cao, Han,Ng, Marcus C. K.,Jusoh, Siti Azma,et al. TMDIM: an improved algorithm for the structure prediction of transmembrane domains of bitopic dimers[J]. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2017, 31(9), 855-865. |
APA | Cao, Han., Ng, Marcus C. K.., Jusoh, Siti Azma., Tai, Hio Kuan., & Siu, Shirley W. I. (2017). TMDIM: an improved algorithm for the structure prediction of transmembrane domains of bitopic dimers. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 31(9), 855-865. |
MLA | Cao, Han,et al."TMDIM: an improved algorithm for the structure prediction of transmembrane domains of bitopic dimers".JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 31.9(2017):855-865. |
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