Managing Reproducible Computational Experiments with Curated Proteins in KINARI-2

被引：4

作者：

Bowers, John C. ^{[1
]}

John, Rose Tharail ^{[1
]}

Streinu, Ileana ^{[1
,2
]}

机构：

[1] Univ Massachusetts, Sch Comp Sci, Amherst, MA 01003 USA

[2] Smith Coll, Dept Comp Sci, Northampton, MA 01063 USA

来源：

BIOINFORMATICS RESEARCH AND APPLICATIONS (ISBRA 2015) | 2015年 / 9096卷

基金：

美国国家科学基金会;

关键词：

D O I：

10.1007/978-3-319-19048-8_7

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

KINARI-2 is the second release of the web server KINARI-Web for rigidity and flexibility of biomolecules. Besides incorporating new web technologies and making substantially improved tools available to the user, KINARI-2 is designed to automatically ensure the reproducibility of its computational experiments. It is also designed to facilitate incorporating third-party software into computational pipelines and to simplify the process of large scale validation of its underlying model through comprehensive comparisons with other competing coarse-grained models. In this paper we describe the underlying architecture of the new system, as it pertains to experiment management and reproducibility.

引用

页码：72 / 83

页数：12

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