🔥The 9th Round of Easy Loan, Earn $40 Reward is in progress❗️ ⏰ Promotion Period: January 15th - Feburary 15th, 2025 👉 Register now and check more details at gate.io/campaigns/358

I'm excited to contribute to this community effort to provide practical guidance for benchmarking protein force fields against data from #NMR and room temperature crystallography: arxiv.org/abs/2303.11056

Secondary Structure cartoons are now part of #MolecularNodes ! v2.6.0: github.com/BradyAJohnston… Every aspect of these are customisable. Width, thickness, colour, arrows / no arrows, cylinders. In love with the final result. Done entirely within #GeometryNodes and #Blender3d

Ending the day with Angela’s @Gronenborn_lab talk on a super cool cyclosporinA story

We are absolutely thrilled to finally share our new structure from Clemons Lab @Caltech of escape mechanism of the smallest phages (φX174) by breaching the peptidoglycan layer, now out in Science! science.org/doi/10.1126/sc… 🧵 In this thread, I'll give you a sneak peek of the YES complex👇🏼

Put the date in your diaries, the registration for the 2024 IUPAB congress and 62nd annual meeting of the biophysical society of Japan in Kyoto opens November 2023! Head to iupab.org/event/iupabcon… to find out more. Please RT!

Next up, Darian Yang from Pittsburgh/CMU tells us about conformations of the HIV-1 capsid protein CTD dimer. #EBSA2023

Congratulations, Xiaowei Bogetti, Ph.D! Xiaowei defended her thesis this morning. Good luck at Stony Brook during your postdoc 😄

We propose amendments to PDBx/mmCIF to better reflect the complexity of biomolecules. This shift will accelerate the development of new tools and provide representative datasets for structural ensemble prediction. chemrxiv.org/engage/chemrxi…

Are you looking to make your microscopy images pop? I've been working on an add-on to make loading tifs in Blender 🔶 more accessible! With tif2blender, 3D animations of z-stacks are hopefully easier to make in open-source format.🌈 Try it at: github.com/oanegros/tif2b…

On this (relatively) cold day we are daydreaming of PS38 @ the Westin Bayshore Vancouver, July 23-26. The annual meeting will feature 100+ speakers & 12 sessions over 3.5 days. Graduate Students member reg. fee is $100 & abstract submission fee is $15. proteinsociety.org

Register now for the free WESTPA Workshop Pitt Chemistry, June 20-21. Explore rare event simulations like protein folding, ligand binding, & chemical reactions with our open-source software. Perfect for those using AMBER, NAMD, GROMACS, etc. Reg info: forms.gle/6gJF6jJ72iexbD…

Another great BPS with both vintage and fresh WESTPA developers/users from the Lillian Chong Rommie Amaro Daniel Zuckerman Terra Sztain, PhD and Ahn Labs!

Ok this paper is bonkers and I love it biorxiv.org/content/10.110…

Having trouble visualizing your data from WESTPA? Try WEDAP! A user-friendly plotting package from Darian and Lillian Chong (1/4) pubs.acs.org/doi/10.1021/ac…

#HighlightOfTheWeek Animated time-evolution of a 2D probability distribution obtained using WEDAP, a python package to plot molecular simulation data. Work by Darian and Lillian Chong. #compchem pubs.acs.org/doi/10.1021/ac…

We often think of an "equilibrium" as something standing still, like a scale in perfect balance. But many equilibria are dynamic, like a flowing river which is never changing—yet never standing still. These dynamic equilibria are nicely described by so-called "detailed balance"

Watch your protein parameters go brrr 🚀 Check out our preprint on applying reinforcement learning (RL) to optimize Protein Language Models: arxiv.org/abs/2412.12979 With Maria Artigues, Andi, Talal Widatalla, Marc Güell and Noelia Ferruz

My Latest work from @Gronenborn_lab. Using 19F NMR, we developed a multiplexed assay for tracking small GTPase activity. This method enables real-time, simultaneous monitoring of multiple proteins under physiological conditions. Check it out in J. Am. Chem. Soc. pubs.acs.org/doi/10.1021/ja…