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New structure (6swr) in a simulated lipid bilayer: memprotmd.bioch.ox.ac.uk/_ref/PDB/6swr/…

Now online - 6uwz (Torpedo acetylcholine receptor) - memprotmd.bioch.ox.ac.uk/_ref/PDB/6uwz/…

6s7v - Lipoteichoic acids flippase LtaA, just finished simulating memprotmd.bioch.ox.ac.uk/_ref/PDB/6s7v/…

Just done - 6r2q (Structure of the Mtr complex) - memprotmd.bioch.ox.ac.uk/_ref/PDB/6r2q/…

Just added to MemProtMD - simulation of new structure 6uwl - memprotmd.bioch.ox.ac.uk/_ref/PDB/6uwl/…

New on MemProtMD - PKD2 C331S disease variant in a membrane memprotmd.bioch.ox.ac.uk/_ref/PDB/6wb8/…

Just added to MemProtMD - simulation of new structure 7jpl - memprotmd.bioch.ox.ac.uk/_ref/PDB/7jpl/…

New structure (7k4b) in a simulated lipid bilayer: memprotmd.bioch.ox.ac.uk/_ref/PDB/7k4b/…

Just added to MemProtMD - simulation of new structure 7k4d - memprotmd.bioch.ox.ac.uk/_ref/PDB/7k4d/…

Just added to MemProtMD - simulation of new structure 7k4e - memprotmd.bioch.ox.ac.uk/_ref/PDB/7k4e/…

New structure (7k4f) in a simulated lipid bilayer: memprotmd.bioch.ox.ac.uk/_ref/PDB/7k4f/…

New structure (7kjr) in a simulated lipid bilayer: memprotmd.bioch.ox.ac.uk/_ref/PDB/7kjr/…

Membrane sim of 6qgx (E.coli BamA beta-barrel) - memprotmd.bioch.ox.ac.uk/_ref/PDB/6qgx/…

When we say we love membrane proteins, we really mean it ❤️ Look at this cutie from MemProtMD, a database of intrinsic membrane proteins inserted into simulated lipid bilayers using Coarse-Grained Self Assembly Molecular Dynamics simulations. 3dproteinimaging.com/protein-imager/

our collaborative paper with Phill Stansfeld & CHARMM-GUI labs is out in PNASNews! Excellent work from Chelsea Brown and Robin Corey @robincorey.bsky.social and all the co-authors with experiments from M Gilleron & Nigou Jerome @IpbsToulouse and Antoine loquet Institut Européen de Chimie et Biologie new res from biorxiv version 🧵👇

thanks to the Phill Stansfeld lab workflow MemProtMD and using recent structures from AF we were able to analyse the residues in contact of our model membrane for 729 proteins from Mtb and compared with 1229 proteins from E coli:

🎉We're delighted that Protein Data Bank (EMBL-EBI) is now part of the MDDB project, tackling the issue of storing and sharing data from molecular dynamics simulations, with fantastic collaborators such as IRB Barcelona, BSC-CNS, KTH, University of Oxford, Nostrum Biodiscovery & EPFL

MD data standards, formats and interoperability under discussion today at University of Oxford with MD code developers and experts #mddbEU #moleculardynamicssimulation