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Name and Surname of the Supervisor: Dr. Joana Smirnovienė

Email of the Supervisor:

Institution (Company), Department: VU LSC, Institute of Biotechnology

Preliminary Topic: Thermodynamics of Engineered Carbonic Anhydrase-Inhibitor Binding for Selective Drug Design

Short Description of the Internship Work: This research project seeks to investigate the mechanisms by which engineered carbonic anhydrase (CA) isoforms recognize and bind small-molecule inhibitors, with the goal of optimizing inhibitors for selective targeting of specific CA isoforms involved in diseases like cancer, obesity, glaucoma, etc. By analyzing thermodynamic parameters such as enthalpy, entropy, and Gibbs free energy changes the project aims to uncover how different molecular interactions contribute to binding affinity and selectivity. Using thermodynamic data and analysing crystal structures of engineered CA bound to the inhibitor, the research will provide valuable insights into the design of inhibitors with improved binding efficiency, helping to advance drug development for diseases where CA isoforms play a critical role.

Qualification Requirements (Degree): BSc MSc

Application Deadline: 2025-05-05

Additional Comments: LMT (Research Council of Lithuania) summer internship funding has been awarded for the internship position

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