Batuhan Kav

1- Molecular dynamics force field optimisation for Αmyloid-β using genetic algorithms 2- Virtual drug discovery for α-synuclein fibrillation using Python (RDKit, Pandas, Numpy) and AutoDock Vina 3- Understanding the impact of electronic polarisation in the protein aggregation using computational models 4- Investigating the effect of guanidylation on YB-1- Notch-3 receptor interactions using molecular dynamics simulations and protein-protein docking 5- Supervision of PhD, Master's and Bachelor's students.

As a part of the NMRLipids Project, I am involved in: 1- Leading an official NMRLipids project on polarisable molecular dynamics force fields 2- Contributing to the development of NMRLipids Databank, which collects all our data to make it publicly available. Here, I am involved in both designing the databank and implementing molecular dynamics trajectory analysis via Python. I strongly believe that science should be public and open to anyone who wants to contribute.

Dr. rer. nat. in Theoretical Physics - I have investigated the interactions between membrane anchored saccharides and how these interactions depend on the membrane and saccharide properties using both equilibrium and non-equilibrium full-atomistic molecular dynamics simulations and statistical models. During my studies, I have been involved with the molecular dynamics force field development for lipids.

I worked on developing microfluidic devices to study amyloid aggregation and force generation.

Thesis Title: Function changing mutations in glucocorticoid receptor evolution correlate with their relevance to mode coupling I investigated the protein dynamics via normal modes of oscillation to understand the effect of point mutations on allosteric regulation.