CCP-BioSim: Biomolecular simulation at the life sciences interface
Lead Research Organisation:
University of Oxford
Department Name: Biochemistry
Abstract
Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.
Organisations
People |
ORCID iD |
| Mark Sansom (Principal Investigator) |
Publications
Aryal P
(2014)
A hydrophobic barrier deep within the inner pore of the TWIK-1 K2P potassium channel.
in Nature communications
Aryal P
(2015)
Hydrophobic gating in ion channels.
in Journal of molecular biology
Berks BC
(2014)
Structural biology of Tat protein transport.
in Current opinion in structural biology
Bollepalli MK
(2014)
State-dependent network connectivity determines gating in a K+ channel.
in Structure (London, England : 1993)
Buyan A
(2016)
Multiscale Simulations Suggest a Mechanism for the Association of the Dok7 PH Domain with PIP-Containing Membranes.
in PLoS computational biology
Chavent M
(2016)
Molecular dynamics simulations of membrane proteins and their interactions: from nanoscale to mesoscale.
in Current opinion in structural biology
Chavent M
(2018)
How nanoscale protein interactions determine the mesoscale dynamic organisation of bacterial outer membrane proteins
in Nature Communications
Chavent M
(2016)
Structures of the EphA2 Receptor at the Membrane: Role of Lipid Interactions.
in Structure (London, England : 1993)
Dong H
(2014)
Structural basis for outer membrane lipopolysaccharide insertion.
in Nature
Duncan AL
(2020)
Defining how multiple lipid species interact with inward rectifier potassium (Kir2) channels.
in Proceedings of the National Academy of Sciences of the United States of America
| Description | we helped to develop multiscale molecular simulation methods for use on HPC resources |
| Exploitation Route | ongoing large scale simulation studies of a variety of systems using ARCHER |
| Sectors | Chemicals,Healthcare,Pharmaceuticals and Medical Biotechnology |
| URL | http://sbcb.bioch.ox.ac.uk/memprotmd/ |
| Description | I have initiated collaborative discussions with a number of pharmaceutical companies (UCB, NovoNordisk, Novartis, Ipsen) and also with IBM - all are interested in large scale membrane simulations using methods which we started to develop during this project. |
| Sector | Chemicals,Healthcare,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology |
| Title | MemProtMD |
| Description | a datbase of all membrane protein structures and their interactions with lipids |
| Type Of Material | Database/Collection of data |
| Year Produced | 2015 |
| Provided To Others? | Yes |
| Impact | Considerable interest and uptake by membrane protein structural biologists in academia and industry (pharma). |
| URL | http://memprotmd.bioch.ox.ac.uk |