Structure-based virtual drug discovery campaigns constitutes highly customizable workflows, thus we cannot expect to follow a unique protocol to solve diverse biomedical projects. Very often a diverse number of receptor models should be managed.
The amount of data managed within the project increases exponentially as the it advances.
Being ordered/structured in the execution of the studies constitute a critical point very early in the execution of the project.
SQL databases are highly adapted to assist in the management of the information involved in the project.
vHTS is a highly iterative process.
Being able to execute vHTS workflow using remote connections to computational infrastructure is highly desired.
As technical requirements for the project may be very diverse, the combination of multiple tools is often required. In this respect, workflows based on open source tools are highly desirable.