Available positions


WP2. Modeling engineered ion channels and their modulation: an agonist and/or antagonist study.

Recruiting institution: Zymvol Biomodeling S.L.

Location: Barcelona, Spain

Supervisors: Laura Masgrau (Zymvol), Joan Torras (UPC)

Project description:


  1. Proteins and small molecules preparation. Structure-function characterization using available experimental data.

  2. High-throughput screening of potential agonist, antagonist and inhibitor molecules.

  3. In silico protein engineering.

Expected results:

  1. Determine molecular parameters that correlated with properties to be improved.

  2. Best small molecules selected to be tested experimentally.

  3. Set of at least 100 TRP, MscL/MscS, ASIC proteins to be tested experimentally.


  1. University of Teramo (Italy). FRET measurements of membrane binding affinity.

  2. Polytechnic University of Catalonia (Spain). QM/MM-MD study of some agonist/antagonist in ion channels.

PhD awarding entity: Polytechnic University of Catalonia (UPC)

Qualifications: MSc in bioinformatics, computational chemistry, or similar.

Skills: Scripting, molecular dynamics, docking.

Experience: None.

Other benefits: Health insurance.

Expected start day: July 1st, 2021