|
Hokkaido University Collection of Scholarly and Academic Papers >
Graduate School of Life Science / Faculty of Advanced Life Science >
Peer-reviewed Journal Articles, etc >
Roll: a new algorithm for the detection of protein pockets and cavities with a rolling probe sphere
| Title: | Roll: a new algorithm for the detection of protein pockets and cavities with a rolling probe sphere |
| Authors: | Yu, Jian Browse this author | | Zhou, Yong Browse this author | | Tanaka, Isao Browse this author | | Yao, Min Browse this author |
| Issue Date: | 1-Jan-2010 |
| Publisher: | OXFORD UNIV PRESS |
| Journal Title: | BIOINFORMATICS |
| Volume: | 26 |
| Issue: | 1 |
| Start Page: | 46 |
| End Page: | 52 |
| Publisher DOI: | 10.1093/bioinformatics/btp599 |
| PMID: | 19846440 |
| Abstract: | Motivation: Prediction of ligand binding sites of proteins is significant as it can provide insight into biological functions and reaction mechanisms of proteins. It is also a prerequisite for protein-ligand docking and an important step in structure-based drug design. Results: We present a new algorithm, Roll, implemented in a program named POCASA, which can predict binding sites by detecting pockets and cavities of proteins with a rolling sphere. To evaluate the performance of POCASA, a test with the same data set as used in several existing methods was carried out. POCASA achieved a high success rate of 77%. In addition, the test results indicated that POCASA can predict good shapes of ligand binding sites. |
| Rights: | This is a pre-copy-editing, author-produced PDF of an article accepted for publication in Bioinformatics following peer review. The definitive publisher-authenticated version Bioinformatics (2010) 26 (1): 46-52. is available online at: http://bioinformatics.oxfordjournals.org/content/26/1/46.full |
| Type: | article (author version) |
| URI: | http://hdl.handle.net/2115/44622 |
| Appears in Collections: | 生命科学院・先端生命科学研究院 (Graduate School of Life Science / Faculty of Advanced Life Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
|
Submitter: 姚 閔
|
