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Rangées de graines.. © INRA, Elena Schweitzer © Fotolia

Our results

  1. Introduction
  2. Research and Innovation 2018 - For Food and Biobased Products
  3. Dry-cured ham: a process simulator can now define routes of manufacture that yield lower-salt products
  4. The way in which proteins aggregate when heated may change their sensitising potency
  5. Enhancing the viability of spray-dried probiotic bacteria by stimulating their stress tolerance
  6. Human milk digestion in the preterm infant: impact of technological treatments
  7. Research & Innovation 2017 - For Food and Biobased Products
  8. To stick or not to stick? Pulling pili sheds new light on biofilm formation
  9. When biopolymers selfassemble: a balance between energy and entropy.
  10. Mimicking the gastrointestinal digestion in a lab-on-a-chip:the microdigester
  11. How a milk droplet becomes a powder grain
  12. Research & Innovation 2016 - For Food and Bioproducts
  13. A new process for the biorefining of plants
  14. Under the UV light : the bacterial membrane
  15. Reverse engineering or how to rebuild ... bread!
  16. Green Chemistry: a step towards lipid production in yeast
  17. Individually designed neo-enzymes for antibacterial vaccines
  18. Multi-scale mechanical modelling: from the nanometric scale to the macroscopic properties of bread crumb
  19. Minimill: 500 g to assess the milling value of soft wheats
  20. Microbial production of lipids for energy or chemical purposes
  21. The discrete role of ferulic acid in the assembly of lignified cell wall
  22. Eco-design of composites made from wood co-products
  23. Analysis of volatile compounds enables the authentication of a poultry production system
  24. Nanoparticles as capping agents for biopolymers microscopy
  25. Pasteurisation, UHT, microfiltration...All the processes don't affect the nutritional quality of milk in the same way
  26. Integration of expert knowledge applied to cheese ripening
  27. Controlling cheese mass loss during ripening
  28. The shape memory of starch
  29. Research & Innovation 2015 - For Food & Biobased Products
  30. Behaviour of casein micelles during milk filtering operations
  31. Overaccumulation of lipids by the yeast S. cerevisiae for the production of biokerosine
  32. Sequential ventilation in cheese ripening rooms: 50% electrical energy savings
  33. An innovative process to extract bioactive compounds from wheat
  34. Diffusion weighted MRI: a generic tool for the microimaging of lipids in food matrices
  35. Characterization of a major gene of anthocyanin biosynthesis in grape berry
  36. New enzyme activity detectors made from semi-reflective biopolymer nanolayers
  37. Improving our knowledge about the structure of the casein micelle
  38. Heating milk seems to favour the development of allergy in infants
  39. Fun with Shape
  40. Using volatile metabolites in meat products to detect livestock contamination by environmental micropollutants
  41. SensinMouth, when taste makes sense
  42. A decision support system for the fresh fruit and vegetable chain based on a knowledge engineering approach
  43. SOLEIL casts light on the 3D structure of proteins responsible for the stabilisation of storage lipids in oilseed plants
  44. A close-up view of the multi-scale protein assembly process
  45. Controlling the drying of infant dairy products by taking water-constituent interactions into account
  46. Polysccharide nanocrystals to stabilise pickering emulsions
  47. Discovery of new degradative enzymes of plant polysaccharides in the human intestinal microbiome
  48. A durum wheat flour adapted for the production of traditional baguettes
  49. Virtual modelling to guide the construction of « tailored-made » enzymes
  50. How far can we reduce the salt content of cooked meat products?
  51. Diffusion of organic substances in polymer materials: beyond existing scaling laws
  52. Smart Foams : various ways to destroy foams on demand !
  53. Dates, rich in tannins and yet neither bitter nor astringent
  54. Sodium content reduction in food
  55. Research & Innovation 2014

Virtual modelling to guide the construction of « tailored-made » enzymes

How can we obtain efficient enzymes that recognize the desired substrate reactant, and are resistant to organic solvents or change in temperature?

Updated on 02/14/2014
Published on 01/10/2014

How can we obtain efficient enzymes that recognize the desired substrate reactant, and are resistant to organic solvents or change in temperature? By screening their amino acid sequence and studying their conformation, molecular modelling, and more particularly, “computational protein design” enables the prediction of the most promising mutations to introduce in order to confer the required physical properties upon enzymes. Researchers from Toulouse came up with the idea of integrating robotics and artificial intelligence techniques into traditional molecular modelling procedures. They have thereby improved the performance of existing methods, both in terms of the representation of the fine details of enzyme structure and dynamics, and speed of calculation.

Scientific contact(s):

  • Isabelle André, Laboratoire d’ingénierie des Systèmes Biologiques et des Procédés
  • Sophie Barbe, Laboratoire d’ingénierie des Systèmes Biologiques et des Procédés
Contact(s) partner(s):
LAAS (CNRS Toulouse) : T. Siméon, J. Cortés -, Ecole Polytechnique : T. Simonson, T. Gaillard -, Société SIEMENS (ex- KINEO) : E. Ferré -, MIAT (INRA, Département MIA) : T. Schiex, G. Katsirelos, S. De Givry, D. Allouche
Département CEPIA & Région Midi-Pyrénées & Agreenium: Thèse de S. Traoré (2011-2014) -, ANR Modèles Numériques (ProtiCAD, 2013-2016) : Post-Doctorat de C. Topham (2013-2015)
Associated Division(s):
Science for Food and Bioproduct Engineering
Associated Centre(s):

Find out more

  • Traoré S., Allouche D., André I., de Givry S., Katsirelos G., Schiex T. and Barbe S. 2013. A New Framework for Computational Protein Design through Cost Function Network OptimizationBioinformatics, 29(17), 2129-2136
  • Allouche D., Traore S., André I., de Givry S., Katsirelos G., Barbe S., and Schiex T.2012. Computational Protein Design as a Cost Function Network Optimization Problem.Proceedings of CP2012. Selected Research Paper. 18th International  Conference on Principles and Practice of Constraint Programming, Québec , Canada from 8-12th October 2012
  • Barbe S., Remaud-Simeon M., André I., Siméon T., and Cortés J..  Méthodes inspirées de la robotique pour l’ingénierie des protéines. Magazine de l’UPS, Nov. 2012, 27, pp13. http://www.univ-tlse3.fr/servlet/com.univ.collaboratif.utils.LectureFichiergw?CODE_FICHIER=1351257194989&ID_FICHE=184050
  • Barbe S, Cortés J, Siméon T, Monsan P, Remaud-Siméon M, André I. 2011.Solvent-dependant Lid Motions of Burkholderia cepacia Lipase Investigated by a Mixed Molecular Modelling and Robotics Approach.Proteins: Structure, Function and Bioinformatics. 79(8):2517-29.
  • Cortés J, Barbe S, Erard M, Siméon T.Encoding molecular motions in voxel maps.2011. IEEE/ACM Trans. Comput. Biol. Bioinform.8(2):557-63
  • Lafaquière V, Barbe S, Puech-Guenot S, Guieysse D, Cortés J, Monsan P, Siméon T, André I, Remaud-Siméon M. 2009. Control of lipase enantioselectivity by engineering the substrate binding site and access channel. ChemBioChem 10(17):2760-2771.