A workflow system for virtual screening in cancer chemoprevention
Date
2012Author
Kannas, Christos C.Achilleos, Kleo G.
Antoniou, Zinonas C.
Nicolaou, Christos A.
Pattichis, Constantinos S.
Kalvari, Ioanna
Kirmitzoglou, Ioannis K.
Promponas, Vasilis J.
ISBN
978-1-4673-4358-9Source
IEEE 12th International Conference on BioInformatics and BioEngineering, BIBE 201212th IEEE International Conference on BioInformatics and BioEngineering, BIBE 2012
Pages
439-446Google Scholar check
Keyword(s):
Metadata
Show full item recordAbstract
Computer-aided drug discovery techniques have been widely used in recent years to support the development of new pharmaceuticals. Virtual screening, the computational counterpart of experimental screening, attempts to replicate the results from in vitro and in vivo methods through the use of in silico models and tools. This paper presents the LISIs platform a web based scientific workflow system for virtual screening that has been implemented primarily for the discovery of chemoprevention agents. We describe the overall design of the system as well as the implementation of its various components. Indicative results from early applications of the system are also presented to illustrate its potential uses and functionalities. © 2012 IEEE.