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Drug eDesign: Building the next generation of software solutions for drug design

Objective

Computer simulations are taking over in design processes. Nevertheless, complex projects will largely benefit from human
intuition and team-work. We aim to combine computer and human power into the next generation of fully interactive
computational tools for drug design. The goal of eDRUG is prove the potential of this novel computational solution in the
current pipeline of drug development and the prospective interest that it will raise in the pharmaceutical industry.
We aim at merging human knowledge with state of the art affordable computational resources to create an interactive and
(capable of) intuition-guided software solution. The idea seats on three technological pillars: 1) the PELE software allowing
fast biophysical characterization of drug-target interactions, 2) advances in computational hardware providing more
computational performance in reduced space, requiring lower power consumption and acquisition cost, and 3) better
graphical devices allowing a richer and faster human(team) data analysis and software interaction.
The goal matches with increasing and future needs from pharmaceutical companies to improve rational drug design (in
response to cell/virus mutations, personalized medicine, etc.). One worldwide leading pharmaceutical company, and a local biotech SME, will be counseling the developing team and testing the prototypes, to meet a product that fulfills industry expectations.

Field of science

  • /natural sciences/computer and information sciences/data science/data analysis
  • /natural sciences/biological sciences/genetics and heredity/mutation/virus mutation
  • /medical and health sciences/basic medicine/medicinal chemistry
  • /natural sciences/computer and information sciences/software
  • /natural sciences/mathematics/applied mathematics/mathematical model

Call for proposal

ERC-2014-PoC
See other projects for this call

Funding Scheme

ERC-POC - Proof of Concept Grant

Host institution

BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION
Address
Calle Jordi Girona 31
08034 Barcelona
Spain
Activity type
Research Organisations
EU contribution
€ 148 875

Beneficiaries (1)

BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION
Spain
EU contribution
€ 148 875
Address
Calle Jordi Girona 31
08034 Barcelona
Activity type
Research Organisations