If you are interested in simulating protein crystals or using constant pH MD, our proof-of-concept work with @pbuslaev1 and G. Groenhof combining these two has just been published:
https://t.co/gOjEmhxHiK
How nice it feels to wrap up some older work from PhD times🔥
Very proud of @JonathanLasham for his successful completion of doctoral degree. And, special thanks to Professor Ville Kaila @TheKailaLab for being the opponent and a great discussion.
Check our new article - Role of protonation states in stability of molecular dynamics simulations of high-resolution membrane protein structures
https://t.co/tvyYgMX5Ck
Main points below.
Check our new article in @ChemicalScience
Horizontal proton transfer across the antiporter-like subunits in mitochondrial respiratory complex I
Multiscale simulation work by Oleksii Zdorevskyi, @Amina93364815 and @JonathanLasham
https://t.co/bxSM5APc1O
In January I started playing with Blender and here is my first take on the respiratory supercomplex! I used #Molecularnodes by @bradyajohnston to make the representations and was delighted to see it works beautifully with coarse grained data too! #sciart#blender#b3d
Check our new article on Yarrowia lipolytica complex I. MD simulations by @JonathanLasham and @OutiHaapanen. Thanks to excellent collaboration with Volker Zickermann.
https://t.co/jhfOp3LOSy
Tunnel dynamics of quinone derivatives and its coupling to protein conformational rearrangements in respiratory complex I https://t.co/dGmf7zdjkk #bioRxiv
Check our latest collaboration work on #mitochondrial respiratory complex I https://t.co/pLS1ujS5Dh combining chemical biology with atomistic #MDsimulations. Simulations by Oleksii Zdorevskyi and @JonathanLasham. Thanks to colleagues at #Kyoto University Japan. @jbiolchem
They determinated the high-resolution structure of a central component of the respiratory chain, mitochondrial complex I, and simulated its dynamics on the computer: https://t.co/Hd4G3DPqBI Congrats to @JanetVonck and co-workers from @goetheuni and @helsinkiuni 👏👏👏!
How energy is generated in the mitochondria of cells? High-resolution structure and atomistic #simulations allowed researchers to identify novel features in one of the key enzymes.
@vivekvivsharma@KumpulaPhysics
https://t.co/zAmMuXVIHt