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[ASAP] Toward Convergence in Folding Simulations of RNA Tetraloops: Comparison of Enhanced Sampling Techniques and Effects of Force Field Modifications ift.tt/fTCzNA8

from #RNA2022 MD team afterhike with Valerio Piomponi and Aimeric Dabin

what can #moleculardynamics tell us about the structural dynamics of (dis)ordered #RNA-#protein complexes and where are the limits? Our new study revealing structural ensembles of the RNA-bound FUS protein is out at The Journal of Physical Chemistry: doi.org/10.1021/acs.jp…

What is the mechanism of #RNA-#protein binding? In our recent work, we visualize atomic pathways of single-stranded RNA binding to protein domains with unbiased MD simulations for the first time. Article available in Nucleic Acids Res: doi.org/10.1093/nar/gk… #moleculardynamics,#compchem

I really appreciate the extensive GPU time granted to me by IT4Innovations as well as I appreciate this little statistic reminding us of a gender balance in the field...

great workshop! thanks Céline Carret for guiding us through and sharing her experience, Hana Sedlackova for organizing the event, and all participants for bringing up so many interesting points in our discussions! Now, back to rewriting my draft ...

If you know how to make some free AI image generator to do a steak in the shape of a DNA duplex, please let me know. I had no luck trying this... (I was also considering making the text on the invitation more in the style of a Linux terminal, but then I didn't.)

Folding a G-quadruplex with all-atom #moleculardynamics. My last project for Sponer lab is out, any feedback is appreciated. Many thanks to bussilab and Vojtech for thorough training on enhanced-sampling MD 🧬💻

Computational molecular medicine across three decades #CMM3D conference, celebrating the 60th birthday of Paolo Carloni, from 23 to 25 October, at SISSA Trieste, Italy! Group picture! 📸🖼️ SISSA cecam IBM EPFL Alessandra Magistrato Matteo Dal Peraro Marco De Vivo

A few years old, but worth a read (perhaps in particular to those who do ML in BIO or take biological databases for granted) "How Margaret Dayhoff Brought Modern Computing to Biology" smithsonianmag.com/science-nature…

highly recommended:

I am looking for a postdoctoral research associate (for 2 years) who will focus on studying the photochemistry of D/RNA oligomers with #compchem methods. Topics include photoinduced electron transfer and D/RNA self-repair. Contact me for more information! euraxess.ec.europa.eu/jobs/168411

Episode 3 of the podcast is out! This time we sat down🎙️ with Wojciech (Wojtek) Kopec, and ended up delving deep into the social and social-media landscape of academia, as well as what our field could learn from industry & statisticians: open.spotify.com/episode/3MpG4g… From this week on, the

Ready for the final day of the BPS meeting on 'Emerging Theoretical Approaches to Complement Single-Particle Cryo-EM' in Trieste! 🔬 We had outstanding speakers, great science, and friendly atmosphere. Thanks to Biophysical Society CECAM, Giulia Palermo Rommie Amaro Lander Lab!

moving to bluesky @pokorna.bsky.social