HUSCAP logo Hokkaido Univ. logo

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

Files in This Item:
Bioinformatics26_1.pdf本文688.86 kBPDFView/Open
Supplementary_file.pdfSupplementary_file147.58 kBPDFView/Open
Please use this identifier to cite or link to this item:http://hdl.handle.net/2115/44622

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

Export metadata:

OAI-PMH ( junii2 , jpcoar )

MathJax is now OFF:


 

 - Hokkaido University