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Drug Design Service

The Drug Design Service (SDF) is offered to industry and academic groups involved in the field of drug discovery and development. This service allows to use computational chemistry programs to predict, guide, and create models of the molecules, their properties, and their interactions, thus making it possible a knowledge-driven design of drugs.

Schrödinger is the most important tool offered to the users. It is a software package that provides molecular modeling software for research in design, selection and optimization of new drugs. The complete package is available for academic and industrial users. The facility also includes other molecular dynamics ab initio simulation programs such as: NAMD, GROMACS, and Gaussian, which can be run on the computing servers available through the supercomputing service of the center.

SDF allows to run up to 5,000 computational hours in two dedicated nodes. These servers are from the Bull NovaScale R422E2 series and each has two 2.66 GHz Xeon X5550 quad-core processors and 64 KB/256 KB of cache memory per core.

This facility connects both companies and academic groups, facilitating the transfer of technology and improving industrial competition.


Ricard de la Vega, Computing and Applications Manager +34 93 205 3898

Alfred Gil, HPC Leader +34 93 551 6208

Alfred Gil, PhD.
HPC Leader
+34 93 5516208
Access Procedures

You may become a user of the Drug Design Service (SDF) if you are:

  • A research group from a Spanish university (academic user).

  • A Spanish pharmaceutical laboratory (industrial user).

All SDF users must pay a sign-up fee and a monthly quota.