Paid Diploma / Master's Thesis - Conformer generation of flexible multi-domain proteins - towards more realistic models of solution structures

Paid Diploma / Master's Thesis

Confromer generation of flexible multi-domain proteins - towards more realistic models of solution structures
Ref. No. DA197

To dedicated students of Chemistry, Physics, or related.

OBJECTIVE

With tools such as alphafold or RoseTTAFold it is now possible to reliably predict the structures of globular/single domain proteins, based on their amino acid sequences. An equally reliable prediction of the solution structures of multi-domain proteins has not been achieved yet. This project tries to make progress in this direction by designing and testing algorithms for the generation and analysis of large conformational ensembles of such proteins in-silico, using as test-case IGG3. An existing pipeline, specific for IGG1/2/4 antibody conformational sampling, will be modified and extended. The result will be validated using data from small angle x-ray scattering (SAXS) experiments. (https://pubmed.ncbi.nlm.nih.gov/7417493/), and coarse grained MD simulation.

WITHIN THE FRAMEWORK OF THIS DIPLOMA / MASTER’S THESIS WE OFFER THE FOLLOWING

• Extensive participation in a top-level and industrially relevant research project in an international environment

• Supervised training in the task

• Assistance of experienced staff with the implementation of innovative ideas

• Access to highly modern infrastructure on campus of Graz University of Technology

• Assistance with the publication of results

FINANCING

• Compensation on the basis of a service contract

If you are interested in writing your thesis at the interface between university research and industry/ business and to contribute to the optimization of product and process development in the pharmaceutical industry, please apply directly via our website.