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BP: Fachverband Biologische Physik

BP 1: Protein Structure and Dynamics

BP 1.8: Vortrag

Montag, 12. März 2018, 11:45–12:00, H 1028

Hydration behaviour of collagen — •Philip Loche¹, Lise Thornfeldt Hansen¹, Lorena Ruiz², Jan Daldrop¹, Alexander Schlaich¹, Emanuel Schneck², Luca Bertinetti², Kerstin G. Blank², and Roland R. Netz¹ — ¹Department of Physics, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany — ²Max Planck Institute of Colloids and Interfaces, Am Mühlenberg, 1 OT Golm, Germany

Collagen is a key protein in the extraceullar matrix of connective tissues such as bones, skin, cartilage, tendons and muscles. Materials such as leather or parchment are known to shrink upon dehydration. An important component in these materials is collagen. The fact that water has an effect on the properties of collagen is well known, but the reasons for this are not. Here we use classical molecular dynamics simulations to obtain insights into the structure and behaviour of collagen. By comparison with x-ray scattering experiments, we show that the choice of the forcefield used in simulations is crucial to reproduce correct hydration effects. From our simulations we reproduce the experimental scattering intensities as well a experimental osmotic pressures. We also calculate the energetic and entropic contributions to the osmotic pressure for different collagen types.