WP2. Modeling engineered ion channels and their modulation: an agonist and/or antagonist study.
Recruiting institution: Zymvol Biomodeling S.L.
Location: Barcelona, Spain
Proteins and small molecules preparation. Structure-function characterization using available experimental data.
High-throughput screening of potential agonist, antagonist and inhibitor molecules.
In silico protein engineering.
Determine molecular parameters that correlated with properties to be improved.
Best small molecules selected to be tested experimentally.
Set of at least 100 TRP, MscL/MscS, ASIC proteins to be tested experimentally.
University of Teramo (Italy). FRET measurements of membrane binding affinity.
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.
Other benefits: Health insurance.
Expected start day: July 1st, 2021