New Applications of Boxed Molecular Dynamics: Efficient Simulation of Rare Events

Booth, Jonathan James (2016) New Applications of Boxed Molecular Dynamics: Efficient Simulation of Rare Events. PhD thesis, University of Leeds.

Abstract

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Keywords: Atomistic simulation, molecular dynamics, enhanced sampling, antibiotics, peptide cyclization, protein unfolding.
Awarding institution: University of Leeds
Academic Units: The University of Leeds > Faculty of Maths and Physical Sciences (Leeds) > School of Chemistry (Leeds)
Identification Number/EthosID (e.g. uk.bl.ethos.123456): uk.bl.ethos.686473
Depositing User: Mr Jonathan Booth
Date Deposited: 23 May 2016 12:40
Last Modified: 06 Oct 2016 14:42

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