MemProtMD

Adding the missing lipids to membrane protein structures using MD simulations. Developed by @tnewport and maintained by @pstansfeld.

[Protein Data Bank @PDBeurope]

🎉We're delighted that @PDBeurope (@emblebi) is now part of the @mddbEU project, tackling the issue of storing and sharing data from molecular dynamics simulations, with fantastic collaborators such as @IRBBarcelona, @BSC_CNS, KTH, @UniofOxford, @HelloNostrum & @EPFL_en

[MDDB @mddbEU]

MD data standards, formats and interoperability under discussion today at @UniofOxford with MD code developers and experts #mddbEU #moleculardynamicssimulation

[matthieu Chavent @Matth_Chavent]

thanks to the @pstansfeld 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:

[matthieu Chavent @Matth_Chavent]

our collaborative paper with @pstansfeld & @CharmmGui labs is out in @PNASNews! Excellent work from @chelseabrowncg and @RobinCorey1 and all the co-authors with experiments from M Gilleron & @NigouJ @IpbsToulouse and @loquet_lab @iecb_bordeaux new res from biorxiv version 🧵👇

[3D Protein Imaging @proteinimaging]

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. https://t.co/fA8dSaYjG5

[MemProtMD @memprotmd]

Membrane sim of 6qgx (E.coli BamA beta-barrel) - https://t.co/AOdg8rqvsh

[MemProtMD @memprotmd]

New structure (7kjr) in a simulated lipid bilayer: https://t.co/gCGzoCuUgz

[MemProtMD @memprotmd]

New structure (7k4f) in a simulated lipid bilayer: https://t.co/342JT8coeB

[MemProtMD @memprotmd]

Just added to MemProtMD - simulation of new structure 7k4e - https://t.co/KiMWyWqFZx

[MemProtMD @memprotmd]

Just added to MemProtMD - simulation of new structure 7k4d - https://t.co/t4Uc1FAOWJ

[MemProtMD @memprotmd]

New structure (7k4b) in a simulated lipid bilayer: https://t.co/FE7USyyqqs

[MemProtMD @memprotmd]

Just added to MemProtMD - simulation of new structure 7jpl - https://t.co/rnlxAfO6Q6

[MemProtMD @memprotmd]

New on MemProtMD - PKD2 C331S disease variant in a membrane https://t.co/f2zNBG1EGJ

[MemProtMD @memprotmd]

Just added to MemProtMD - simulation of new structure 6uwl - https://t.co/aZq8Pg03ID

[MemProtMD @memprotmd]

Just done - 6r2q (Structure of the Mtr complex) - https://t.co/MwnetN2auU

[MemProtMD @memprotmd]

6s7v - Lipoteichoic acids flippase LtaA, just finished simulating https://t.co/EAGS5miLVH

[MemProtMD @memprotmd]

Now online - 6uwz (Torpedo acetylcholine receptor) - https://t.co/VEIVxH2lnk

[MemProtMD @memprotmd]

New structure (6swr) in a simulated lipid bilayer: https://t.co/dVUsLh9N5h

[MemProtMD @memprotmd]

6m66 - Human Pannexin 1 (with solvent contacts) https://t.co/yhrB5PDQRR

[MemProtMD @memprotmd]

Just added to MemProtMD - simulation of new structure 6wc9 - https://t.co/pG9ITdtSyA