Distant collaboration in drug discovery: the LINK3D project

The work describes the development of novel software supporting synchronous distant collaboration between scientists involved in drug discovery and development projects. The program allows to visualize and share data as well as to interact in real time using standard intranets and Internet resources...

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Bibliographic Details
Published in:Journal of computer-aided molecular design 2002-11, Vol.16 (11), p.809-818
Main Authors: Pastor, Manuel, Benedetti, Paolo, Carotti, Angelo, Carrieri, Antonio, Díaz, Carlos, Herráiz, Cristina, Höltje, Hans-Dieter, Loza, M Isabel, Oprea, Tudor, Padín, Fernando, Pubill, Francesc, Sanz, Ferran, Stoll, Friederike
Format: Article
Language:English
Subjects:
Computer Graphics
Computer Simulation
Computer Systems
Cooperative Behavior
Development projects
Drug Design
Internet
Models, Molecular
Pharmaceutical industry
Prototypes
Remote Consultation
Software
User-Computer Interface
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Summary:The work describes the development of novel software supporting synchronous distant collaboration between scientists involved in drug discovery and development projects. The program allows to visualize and share data as well as to interact in real time using standard intranets and Internet resources. Direct visualization of 2D and 3D molecular structures is supported and original tools for facilitating remote discussion have been integrated. The software is multiplatform (MS-Windows, SGI-IRIX, Linux), allowing for a seamless integration of heterogeneous working environments. The project aims to support collaboration both within and between academic and industrial institutions. Since confidentiality is very important in some scenarios, special attention has been paid to security aspects. The article presents the research carried out to gather the requirements of collaborative software in the field of drug discovery and development and describes the features of the first fully functional prototype obtained. Real-world testing activities carried out on this prototype in order to guarantee its adequacy in diverse environments are also described and discussed.
ISSN:0920-654X
1573-4951
DOI:10.1023/A:1023884712617