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

Summary
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.
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More information & hyperlinks
Web resources: https://cordis.europa.eu/project/id/641302
Start date: 01-01-2015
End date: 30-06-2016
Total budget - Public funding: 148 875,00 Euro - 148 875,00 Euro
Cordis data

Original description

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.

Status

CLOSED

Call topic

ERC-PoC-2014

Update Date

27-04-2024
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Horizon 2020
H2020-EU.1. EXCELLENT SCIENCE
H2020-EU.1.1. EXCELLENT SCIENCE - European Research Council (ERC)
ERC-2014
ERC-2014-PoC
ERC-PoC-2014 ERC Proof of Concept Grant