congratulations to Kirsty @kirstynyk on her successful Ph.D. defense!

Kirsty (@kirstynyk) is back on suppressing protein aggregation! Check out how she did it in her recent paper, now in Biochemistry! @ACSBioMed @ACSPublications. doi.org/10.1021/acs.biochem.…

How does an electrospray actually form, molecule by molecule? @mdolatkh tackles the question with atomistic MD, revealing key roles for dielectric effects and electrophoretic charge separation. Check it out in J. Phys. Chem. B! 👇 doi.org/10.1021/acs.jpcb.6c0…

New work from @HanifiKasra combines native ESI-MS and MD simulations to uncover how proteins transition from aqueous droplets to gas-phase ions, revealing insights into charging, charge states & structural evolution. PCCP 28(24) Front Cover! 🎉 doi.org/10.1039/d6cp00481d

Welcome to beautiful San Diego for #ASMS2026! If you're in town, make sure to visit Evelyn MacKay-Barr (MP 148) and Noah Ruscica's (TP 203) posters and catch Lars' oral presentation Tuesday at 3:10 PM in Ballroom 20A!

Can enzymes retain catalytic activity in the gas phase? Using tandem MS, molecular dynamics simulations, and enzyme variants courtesy of the @VahidiLab, Kirsty (@kirstynyk) uncovers new insight towards this question. Now published in JACS (@J_A_C_S)! pubs.acs.org/doi/10.1021/jac…

In our newest paper, Evelyn takes a close look at thermal unfolding experiments to see if they're really as reversible as we assume. SPOILERS: they're not, but we've established some strategies to mitigate this problematic irreversible thermal unfolding. pubs.acs.org/doi/10.1021/acs…

In our quest to fully understand the ESI process, Lars developed an algorithm to determine potentials and electric fields associated with an ESI source. This strategy eliminates the need for differential calculus to design realistic ESI emitters using MD. pubs.acs.org/doi/10.1021/jas…

If you're in Baltimore for #ASMS2025 make sure to catch Lars' talk (@KonermannLars) at 10:10 in room 309! There's also Evelyn's poster today (WP 609) and @kirstynyk's talk tomorrow at 3:10 in Ballroom IV to watch out for!

From Taylor cone formation to gaseous ions, the complete ESI process has been modeled with continuous solution flow for the first time! Our very own @mdolatkh has just published her MD simulations in our newest paper. pubs.acs.org/doi/full/10.102…

We have a last minute holiday gift from (and also to) the Konermann Lab! @pabloscrosati and Evelyn have married HPLC and MD using umbrella sampling to determine the free energy of peptide-stationary phase binding and correctly predict elution order! pubs.acs.org/doi/10.1021/acs…

A huge congratulations to Kirsty Ng @kirstynyk for receiving the 2024 G. Michael and Joan Bancroft Research Award and presenting her outstanding research! This award celebrates the research excellence of a third year PhD student @westernuchem

"Can we get serious [about HDX-MS] now?" Lars and Pablo (@pabloscrosati) address the limitations of HDX-MS's ability to provide truly quantitative information on protein dynamics and share some strategies for complementing HDX data with simulation tools. doi.org/10.1016/j.mcpro.2024…

Another great talk by Prof. Lars Konermann at the CFABS Toronto Post-ASMS Symposium! If you're interested in learning more about these serine magic number clusters, you can check them out here😉 pubs.acs.org/doi/10.1021/jac…

Newest paper from the lab: @HanifiKasra examines ESI droplet simulation parameterization and proposes some new "best practices" for modeling ESI droplets with MD. pubs.acs.org/doi/10.1021/acs…

Glad to see old friends (and labmates) here for convocation. Great to hear about what @heisenberg2T1 and @AlinezhadVida are doing now and where they're heading next.

Congratulations to @pabloscrosati for winning a CSC travel award to present his poster (The Stressful Life of Cytochrome c) at @ProteinSociety 's 38th annual symposium. This is the Konermann Lab' s third year in a row winning this award🥳🥳