Check our new article in @ChemicalScience
https://t.co/8U7GZipCra
Catalytic relevance of quinol anion in biological energy conversion by respiratory complex I
Computer simulations by @olZdorevskyi#JohannesLaukkanen
We study #ubiquinone reduction and dynamics in complex I
Check QM/MM gradient analysis and visualization tool by #JohannesLaukkanen
https://t.co/Zum9tDC1HA
Abstract: Visualize force vectors on QM region atoms of a QM/MM MD trajectory produced by NAMD/ORCA software. Analyze data such as force magnitudes and angles between vectors.
In the current work, we show histidine dynamics is central for function of antiporter (complex I). Histidine switch function is perturbed by point mutations
The work highlights the power of combining chemical biology approaches with computer simulations in complex I research. MD simulations by @tina_pecorilla.
Structural Elucidation of the Mechanism for Inhibitor Resistance in the Na+-Translocating NADH-Ubiquinone Oxidoreductase from Vibrio cholerae | Biochemistry https://t.co/iWXz49FPxu
I'm excited to share our latest work!
Congratulations, Moe!
Structural Elucidation of the Mechanism for Inhibitor Resistance in the Na+-Translocating NADH-Ubiquinone Oxidoreductase from Vibrio cholerae | Biochemistry https://t.co/CeOJ46Bgbk
Postdoctoral researcher position available in our group at the University of Helsinki, Finland
Interested candidates, see the description on the link below and apply
https://t.co/dEoM09pkIv
Humans are capable of adapting to a wide range of temperatures. Researchers from @harvardmed and @helsinkiuni explored how #cold#adaptation is triggered in brown adipose tissue by increasing mitochondrial energy production.
@vivekvivsharma
https://t.co/n8sS7POzJt
I was privileged to apply the QM/MM simulation technique to study electron transfer processes in cold-adapted respiratory complex I. Thanks to @vivekvivsharma and @Amina93364815. Work done in collaboration with @PpuigserverB and @platorremuro.
Check our new preprint on the "Catalytic relevance of quinol anion in biological energy conversion by respiratory complex I" @biorxivpreprint
https://t.co/SPBPpURbQL . Simulations by @olZdorevskyi#JohannesLaukkanen. A thread