Přeuspořádání biomembrán pomocí vkládání alfa-šroubovic - Spojitá teorie a simulace
| Thesis title in Czech: | Přeuspořádání biomembrán pomocí vkládání alfa-šroubovic - Spojitá teorie a simulace |
|---|---|
| Thesis title in English: | Biomembrane Remodeling via alpha-Helical Insertions - Continuum Theory and Simulation |
| Academic year of topic announcement: | 2023/2024 |
| Thesis type: | dissertation |
| Thesis language: | čeština |
| Department: | Mathematical Institute of Charles University (32-MUUK) |
| Supervisor: | Christoph Allolio, Ph.D. |
| Author: |
| Guidelines |
| Positive curvature generation by amphipathic alpha helices is an integral part of many important biomembrane remodeling processes. It is also a likely involved in the pathogenesis of Parkinson's disease, as mediated by the membrane-bound form of alpha-Synuclein. Membrane deformations are traditionally treated by the Helfrich theory of curvature elasticity. This theory does not treat the membrane as a three dimensional body into which insertions can be made, but it can be connected with mean field models of molecular lipids or 3d-elastic continuum theory. Currently, there is no straightforward way to incorporate lipid and protein electrostatics as well as surface polarity into these models. However, these properties are readily available from molecular simulations. This thesis deals with the creation of continuum models for insertions into membranes, their parametrization with molecular dynamics and their application to the case of alpha-synuclein. |
| References |
| 1] F. Campelo, H. T. McMahon, M. M. Kozlov, Biophys. J., 95, 2325-2339 (2008)
[2] I. Szleifer, D. Kramer, A. Ben‐Shaul J. Chem. Phys. 92, 6800 (1990); [3] C. Galvagnion, J. W. P. Brown, M. M. Ouberai, P. Flagmeier, M. Vendruscolo, A. K. Buell, E. Sparr, and C. M. Dobson Proc. Natl. Acad. Sci. U.S.A.,113, 7065-7070 (2016) |