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Novel applications for hierarchical natural move Monte Carlo simulations: from proteins to nucleic acids

Abstract:

Biological molecules often undergo large structural changes to perform their function. Computational methods can provide a fine-grained description at the atomistic scale. Without sufficient approximations to accelerate the simulations, however, the time-scale on which functional motions often occur is out of reach for many traditional methods. Natural Move Monte Carlo belongs to a class of methods that were introduced to bridge this gap. I present three novel applications for Natural Move...

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Supervisor
Role:
Supervisor
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Grant:
EP/G03706X/1
Funding agency for:
Samuel Demharter
Type of award:
DPhil
Level of award:
Doctoral
Awarding institution:
University of Oxford

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