Thesis
Using molecular simulations to parameterize discrete models of protein movement in the membrane
- Abstract:
-
The work presented in this thesis centres on the development of a work-flow in which coarse-grained molecular dynamics (MD) simulations of a planar phospholipid bilayer, containing membrane proteins, is used to parameterize a larger-scale simplified bilayer model. Using this work-flow, repeat simulations and simulations of larger systems are possible, better enabling the calculation of bulk statistics for the system. The larger-scale simulations can be run on commercial hardware, once...
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Authors
Contributors
+ Osborne, J
Role:
Supervisor
+ Gavaghan, D
Role:
Supervisor
+ Sansom, M
Role:
Supervisor
Funding
Engineering and Physical Sciences Research Council
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Bibliographic Details
- Type of award:
- DPhil
- Level of award:
- Doctoral
- Awarding institution:
- University of Oxford
Item Description
- UUID:
-
uuid:893568e9-696f-47e7-8495-59ecfb810459
- Deposit date:
- 2015-10-21
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Terms of use
- Copyright holder:
- Hirst-Dunton, T
- Copyright date:
- 2015
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