Title: A computational study exploring the molecular basis of anaesthesia

Engineering and Physical Sciences Research Council

Principal Investigator

De Leeuw, Nora

Project Details
Start date: 02/04/2018
End date: 31/03/2022

This project aims to develop and employ state-of-the-art computational chemistry methods to investigate the electronic structure and geometrical parameters of a range of anaesthetic

substances to gain a fundamental understanding of their mode of action, based on their physical and chemical properties, in a realistic metabolic environment. We also aim to explore the interactions between the cell receptor and the anaesthetic molecules to investigate the chemical and thermodynamic properties of binding to key structural sites of functional inhibition.

Related Datasets

Last updated on 2019-18-11 at 10:27