The development of a drug discovery virtual screening application on Taiwan Unigrid

被引：0

作者：

Ho, Li-Yung ^{[1
,2
]}

Liu, Pangfeng ^{[2
,3
]}

Wang, Chien-Min ^{[1
]}

Wu, Jan-Jan ^{[1
]}

机构：

[1] Acad Sinica, Inst Informat Sci, Taipei, Taiwan

[2] Natl Taiwan Univ, Dept Comp Sci & Informat Engn, Taipei, Taiwan

[3] Natl Taiwan Univ, Grad Inst Networking & Multimedia, Taipei, Taiwan

来源：

ADVANCES IN GRID AND PERVASIVE COMPUTING, PROCEEDINGS | 2008年 / 5036卷

关键词：

D O I：

暂无

中图分类号：

TP301 [理论、方法];

学科分类号：

081202 ;

摘要：

This paper describes the development of an in silico virtual screening application on Taiwan Unigrid. In silico, virtual screening is one of the most promising approach to accelerate the drug development process. This pilot application implementation demonstrates the power of grid, which provides reliable service via shared computing resources. This development illustrates not only a new collaboration pattern to challenge difficult research topics, but also a promising perspective for developing future grid infrastructure.

引用

页码：38 / +

页数：2

共 50 条

[31] Integrating Virtual Screening and Combinatorial Chemistry for Accelerated Drug Discovery
Lopez-Vallejo, Fabian
Caulfield, Thomas
Martinez-Mayorga, Karina
Giulianotti, Marc A.
Nefzi, Adel
Houghten, Richard A.
Medina-Franco, Jose L.
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2011, 14 (06) : 475 - 487
[32] Open innovation drug discovery: Structure blinded virtual screening
Franklin, Natalie
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
[33] High-throughput virtual screening for drug discovery in parallel
Toledo-Sherman, LM
Chen, DQ
CURRENT OPINION IN DRUG DISCOVERY & DEVELOPMENT, 2002, 5 (03) : 414 - 421
[34] Hierarchical virtual screening approaches in small molecule drug discovery
Kumar, Ashutosh
Zhang, Kam Y. J.
METHODS, 2015, 71 : 26 - 37
[35] An artificial intelligence accelerated virtual screening platform for drug discovery
Zhou, Guangfeng
Rusnac, Domnita-Valeria
Park, Hahnbeom
Canzani, Daniele
Nguyen, Hai Minh
Stewart, Lance
Bush, Matthew F.
Nguyen, Phuong Tran
Wulff, Heike
Yarov-Yarovoy, Vladimir
Zheng, Ning
Dimaio, Frank
NATURE COMMUNICATIONS, 2024, 15 (01)
[36] Deep learning pipeline for accelerating virtual screening in drug discovery
Noor, Fatima
Junaid, Muhammad
Almalki, Atiah H.
Almaghrabi, Mohammed
Ghazanfar, Shakira
ul Qamar, Muhammad Tahir
SCIENTIFIC REPORTS, 2024, 14 (01):
[37] Docking and scoring in virtual screening for drug discovery: methods and applications
Douglas B. Kitchen
Hélène Decornez
John R. Furr
Jürgen Bajorath
Nature Reviews Drug Discovery, 2004, 3 : 935 - 949
[38] What has virtual screening ever done for drug discovery?
Clark, David E.
EXPERT OPINION ON DRUG DISCOVERY, 2008, 3 (08) : 841 - 851
[39] FRODRUG: a virtual screening GPU accelerated approach for drug discovery
Garcia, Santiago
Ramirez-Aportela, E.
Garzon, J. I.
Chacon, Pablo
Montemayor, Antonio S.
Cabido, Raul
2014 22ND EUROMICRO INTERNATIONAL CONFERENCE ON PARALLEL, DISTRIBUTED, AND NETWORK-BASED PROCESSING (PDP 2014), 2014, : 594 - 600
[40] Virtual Screening Techniques in Drug Discovery: Review and Recent Applications
da Silva Rocha, Sheisi F. L.
Olanda, Carolina G.
Fokoue, Harold H.
Sant'Anna, Carlos M. R.
CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2019, 19 (19) : 1751 - 1767

← 1 2 3 4 5 →