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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 58: Modelling and Simulation of Soft Matter I (joint session CPP/DY)
CPP 58.12: Vortrag
Mittwoch, 18. März 2020, 12:45–13:00, ZEU 255
Coarse graining of Bovine serum albumin (BSA) — •Frank Hirschmann1, Hender López2, and Martin Oettel1 — 1University of Tübingen — 2Dublin Institute of Technology
The intercellular medium of living cells typically contains biomolecules (such as proteins) at high packing fractions, which directly affects diffusive and transport properties of the suspended components. Additionally, molecular shape plays a key role for interactions in crowded environments.
To treat these systems computationally, we present a coarse grained model of the globular antibody BSA, which neglects full atomistic details, but enables access to larger system sizes of hundreds to thousands of molecules. Using Brownian dynamics, we present static and dynamic properties of different implementations of our model. A particular emphasis is on the influence of molecule flexibility on diffusion coefficients. A comparison is made with an already existing coarse grained model of γ-Globulin (IgG), which is a significantly more flexible molecule.