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. 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.
Pastor
Manuel
M
GRIB, IMIM/UPF, C/ Dr. Aiguader 80, E-08003, Barcelona, Spain. mpastor@imim.es
Benedetti
Paolo
P
Carotti
Angelo
A
Carrieri
Antonio
A
Díaz
Carlos
C
Herráiz
Cristina
C
Höltje
Hans-Dieter
HD
Loza
M Isabel
MI
Oprea
Tudor
T
Padín
Fernando
F
Pubill
Francesc
F
Sanz
Ferran
F
Stoll
Friederike
F
D003196:Computer Graphics; D003198:Computer Simulation; D003199:Computer Systems; D003299:Cooperative Behavior; D015195:Drug Design; D020407:Internet; D008958:Models, Molecular; D019114:Remote Consultation; D012984:Software; D014584:User-Computer Interface