Research Topic:

Resolution-switching in biomembrane simulations

Supervisors:

Prof. Rainer Böckmann (FAU)

Thesis Abstract:

Brief overview of PhD thesis: Different resolution configurations exist for biomolecular dynamics simulations, each offering distinct advantages. Low-resolution simulations capture large-scale movements over longer timescales, while high-resolution simulations provide detailed interaction insights. My work aims to develop a software tool for seamless resolution switching, integrating state-of-the-art solutions with AI-driven approaches. Such a tool enables simulations to be fast equilibrated and extended with low-resolution and atomistically detailed with high resolution. The goal is to create an open-source, robust, well-maintained, tested, documented, and accessible tool for the biomolecular dynamics community.

Publications:

•Eren Tunç, Marius Trollmann, and Rainer Böckmann. “DomHMM – Analysis of Membrane Domains”. In: Aug. 2024. doi: 10.21203/rs.3.rs-4996733/v1