iBIOMES: Managing and Sharing Biomolecular Simulation Data in a Distributed Environment

被引：0

作者：

Thibault, Julien C. ^{[1
]}

Facelli, Julio C. ^{[1
,2
]}

Cheatham, Thomas E., III ^{[3
]}

机构：

[1] Univ Utah, Dept Biomed Informat, Salt Lake City, UT USA

[2] Univ Utah, Ctr High Performance Comp, Salt Lake City, UT USA

[3] Univ Utah, Dept Med Chem, Salt Lake City, UT 84112 USA

来源：

JOURNAL OF CHEMICAL INFORMATION AND MODELING | 2013年 / 53卷 / 03期

基金：

美国国家卫生研究院; 美国国家科学基金会;

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; UNIQUE TETRANUCLEOTIDE SEQUENCES; DNA OLIGONUCLEOTIDES; ALGORITHMS; DESIGN; SYSTEM;

D O I：

10.1021/ci300524j

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Biomolecular simulations, which were once batch queue or compute limited, have now become data analysis and management limited. In this paper we introduce a new management system for large biomolecular simulation and computational chemistry data sets. The system can be easily deployed on distributed servers to create a mini-grid at the researcher's site. The system not only offers a simple data deposition mechanism but also a way to register data into the system without moving the data from their original location. Any registered data set can be searched and downloaded using a set of defined metadata for molecular dynamics and quantum mechanics and visualized through a dynamic Web interface.

引用

页码：726 / 736

页数：11

共 50 条

[21] Managing the data commons: Controlled sharing of scholarly data
Eschenfelder, Kristin R.
Johnson, Andrew
JOURNAL OF THE ASSOCIATION FOR INFORMATION SCIENCE AND TECHNOLOGY, 2014, 65 (09) : 1757 - 1774
[22] A Self-Organizing Distributed Memory Cache for Data Sharing Applications in Cluster Environment
Liu, Weifeng
Gong, Bin
Hu, Yi
Guo, Yiru
2013 IEEE 15TH INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE COMPUTING AND COMMUNICATIONS & 2013 IEEE INTERNATIONAL CONFERENCE ON EMBEDDED AND UBIQUITOUS COMPUTING (HPCC_EUC), 2013, : 158 - 164
[23] Semantics for managing systems in heterogeneous and distributed environment
Arnicans, G
Karnitis, G
DATABASES AND INFORMATION SYSTEMS II, 2002, : 149 - 160
[24] Distributed resource sharing technique in grid environment
Yaacob, N
Iqbal, R
APCC 2003: 9TH ASIA-PACIFIC CONFERENCE ON COMMUNICATION, VOLS 1-3, PROCEEDINGS, 2003, : 344 - 347
[25] A METHODOLOGY FOR MANAGING DISTRIBUTED VIRTUAL ENVIRONMENT SCALABILITY
Singh, H. Lally
Gracanin, Denis
PROCEEDINGS OF THE 2011 WINTER SIMULATION CONFERENCE (WSC), 2011, : 2735 - 2746
[26] Protecting Information Sharing in Distributed Collaborative Environment
Li, Min
Wang, Hua
ADVANCED WEB AND NETWORK TECHNOLOGIES, AND APPLICATIONS, 2008, 4977 : 192 - 200
[27] MANAGING AND INTEGRATING GEOGRAPHY MODELS IN DISTRIBUTED ENVIRONMENT
Wang, Xiaolin
Li, Hui
Deng, Hao
Luo, Yingwei
2011 IEEE INTERNATIONAL GEOSCIENCE AND REMOTE SENSING SYMPOSIUM (IGARSS), 2011, : 4340 - 4343
[28] Indiva: A middleware for managing distributed media environment
Ooi, WT
Pletcher, P
Rowe, LA
MULTIMEDIA COMPUTING AND NETWORKING 2004, 2004, 5305 : 211 - 224
[29] Sharing engineering design knowledge in a distributed environment
Zdrahal, Z
Mulholland, P
Domingue, J
Hatala, M
BEHAVIOUR & INFORMATION TECHNOLOGY, 2000, 19 (03) : 189 - 200
[30] Communication in distributed simulation environment
Ginters, Egils
Silins, Artis
Andrusaitis, Janis
PROCEEDINGS OF THE 6TH WSEAS INTERNATIONAL CONFERENCE ON SYSTEM SCIENCE AND SIMULATION IN ENGINEERING (ICOSSSE '07): SYSTEM SCIENCE AND SIMULATION IN ENGINEERING, 2007, : 217 - +

← 1 2 3 4 5 →