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Thesis

In silico molecular understanding of opioid receptor activation

Abstract:

This thesis explores the behaviour the homo sapiens δ opioid receptor (δ OR) in complex with a variety of morphinan (morphine derivatives) opioids, aiming to answer whether molecular dynamics (MD) tools can be used to determine the molecular underpinning of opioid structure-activity relationship.

To do so, the results of conventional MD simulations are reported and analysed to shed light on the local changes to the binding pocket, and a novel method, N-Body Information Theo...

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Department:
St Hilda's College

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Role:
Supervisor
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Grant:
EP/G037280/1
Funding agency for:
Project
Type of award:
DPhil
Level of award:
Doctoral
Awarding institution:
University of Oxford

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