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Projets


The LifeGrid platform unites all scientific stakeholders in Auvergne (public and private laboratories, businesses) by creating a regional information system that will organise, store and distribute the data obtained from research.

LifeGrid projects

Chimistry themes

LifeGrid projects on chemistry, focusing on the study and production of molecules.

Development of an owner information system to improve the scientific performance and security of data

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METabolic EXplorer
Virtual Screening: Promotion of a chemical library for use on anti-cancer targets

At present, the longest process is generating the 3D structures of molecules by conformational analysis, as this is done “manually”.Our project aims to automate the entire 3D structure development chain of chemical compounds:

  • Retrieve information from the 2D structure contained in the chemical library,
  • Carry out a conformational analysis,
  • Identify the most stable conformations,
  • Carry out docking computation between each of these conformations and the biological target,
  • Analyse the docking scores to allow the information to be pre-processed.

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ABOAB Bettina
Université Blaise Pascal

LifeGrid, the regional information system