Very proud to present our methods paper on 'QM/MM Free Energy Calculations of Long-Range Biological Protonation Dynamics by Adaptive and Focused Sampling' now out in JCTC. pubs.acs.org/doi/10.1021/ac…

A few more days left to apply for positions in computational biophysics, ML and/or bioenergetics of membrane proteins in our Lab (by April 23):
Biophysics (PhD):  lnkd.in/d5tGuj6S
Biochemistry (PhD):  lnkd.in/dNqP4xVT
Biophysics/ML (postdoc): lnkd.in/d6wZPjzX

We are searching for highly motivated students to join our excellent Master's Program in Protein Biochemistry at Stockholm University. The deadline for the international application round is on January 15. More information: lnkd.in/dkWX8TFt

We are searching for a highly motivated postdoc in 'Machine-Learning how Proteins Catalyze Chemical & how cells capture energy ' to join our Lab in collaborative DDLS-WASP project with Simon Olsson Simon Olsson (Chlamers). Please apply via (deadline Nov 8): su.se/english/about-…

We are searching for a highly motivated PhD student in Biophysics, with special interest in multiscale (QM/MM) simulations, membrane proteins, and/or bioenergetics to join our Lab. Please apply via (deadline Nov 3):su.se/english/about-…

The latest issue of JACS is live!

On this week's cover, VilleKaila illustrates how catalysis controls large-scale protein conformational changes and enables ion transport across biological membranes.

Read the full article here ➡️ go.acs.org/5M7

Wow - our recent work made it to the JACS cover! pubs.acs.org/toc/jacsat/145… Many thanks to our multi-talented Patricia Saura for the fantastic figure!
#MyACSCover KAW European Research Council (ERC) Vetenskapsrådet

So proud of my team! Delighted to see our paper on how quinone catalysis triggers the proton pump in Complex I - now out in JACS: pubs.acs.org/doi/10.1021/ja… European Research Council (ERC) KAW Vetenskapsrådet

I am extremely grateful and honored for the FEBS 2023 Anniversary Prize: febs.org/news/febs-anni… Looking very much forward to the 47th FEBS Congress! FEBS GBM e.V.

Are you interested in multi-scale simulations, biophysical experiments or both? We have open PhD positions on mechanistic studies of membrane proteins. Deadline: April 23, 2023. See:
villekaila.com/people/open-po…

Very happy to share our with latest work on 'Effective Molecular Dynamics from Neural Network-Based Structure Prediction Models' with @Jussupow_DBB_SU pubs.acs.org/doi/full/10.10…

From this week's cover: 'Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC' by Ville R. I. Kaila, Volker Müller, Jan M. Schuller et al. @stockholms_univ

Learn more ➡️ go.acs.org/4cY

Very happy to share our work on the electron bifurcating HydABC - now online in JACS: pubs.acs.org/doi/10.1021/ja… Many thanks for an excellent collaboration w SchullerJM & Volker Müller, Sven T. Stripp 🇺🇦🔥🌊 Labs, and European Research Council (ERC), KAW & Vetenskapsrådet for funding.

Apply now for the Assistant Professorship in 'Integrative structural biology with focus on structural dynamics' at my Department, DBB at Stockholm University. Deadline Dec 28, 2022
su.se/english/about-…

Check out our pre-print w @Jussupow_DBB_SU on how to read protein dynamics from #AlphaFold predictions:

How electric fields gate proton transfer reactions in cytochrome c oxidase: Very proud of our Lab's recent paper, now out in PNAS:
pnas.org/doi/10.1073/pn… w Patricia Saura KAW SFB 1078 Stockholms universitet

Science@Marseille ❤️ #ebec2022