So grateful for this award, and for the chance to present our group's research at ACS in the Fall! #compchem #chemsky

I'm really pleased to have been involved in this interlaboratory study, now published in ChemPhysChem. If you calculate and/or publish isosteric enthalpies of adsorption, please take a look. We found a lot of variation in determined values... #chemsky

Check out @nicgaston.bsky.social work on the low melting temperature of gallium and how entropy drives the process!

I forget: is the proper order: Sock - shoe - sock - shoe Or: Sock - sock - shoe -shoe First is more efficient in leg movement terms.

Note the analysis on the discordance between the health and economic burden of endometriosis vs relative federal investment in research. TL:DR, very bad. www.owlposting.com/p/endometrio...

Chemist/physician Dr. Maud Menten co-authored the seminal paper 𝘋𝘪𝘦 𝘒𝘪𝘯𝘦𝘵𝘪𝘬 𝘥𝘦𝘳 𝘐𝘯𝘷𝘦𝘳𝘵𝘪𝘯𝘸𝘪𝘳𝘬𝘶𝘯𝘨, 1931. This intro'd the Michaelis–Menten equation (image). It remains a cornerstone of #biochemistry, used in drug design, metabolic studies & enzyme engineering. She was born #OTD in 1879. #WomenInSTEM

The APS Global Physics Summit is in full swing! Such large conferences are always a bit overwhelming, so I'm starting a thread to digest it from my point of view as a computational biophysicist. #APSsummit26 @apsphysics.bsky.social

Chuck Norris counted all the way to infinity. Twice.

A 2024 #SciencePerspective identified key issues that need to be prioritized in the study of Long Covid. ⁠ Learn more on #LongCovidAwarenessDay: https://scim.ag/3Pz63hl

Von @hauckundbauer.bsky.social. 😂 👍

📜 Treasures from the archive To celebrate 100 years of Schrödinger’s equation, the Faculty of Physics is sharing archival documents connected to Erwin Schrödinger and the beginnings of quantum mechanics. More materials throughout the year: schroedinger100.univie.ac.at/treasures-fr...

We developed a simple theory and showed that Random Acceleration Molecular Dynamics (RAMD) is consistent with a Smoluchowski equation with an effective temperature and diffusion coefficient that depend quadratically on the magnitude of the random force. pubs.aip.org/aip/jcp/arti...

This is the moment we've worked toward for a long time: First public disclosure of the @asapdiscovery.bsky.social pan-coronavirus antiviral aiming to help keep humanity safe from future pandemic threats like MERS-CoV and other bat coronaviruses.

15,000 people protested fascism and racism in Amsterdam yesterday.

I was invited, for July, to a scienctific meeting in Telluride (Colorado). I was told it is a wonderful place for a conference, and I was very much looking forward to an exciting meeting in a fantastic environment. I have just canceled my participation, despite having booked already everything.

BREAKING: People are being suspended on X in Turkey for posting videos of these protests against Erdoğan’s corrupt and repressive regime. Keep sharing everywhere.

Lots of RSC journals popping up on Bluesky (with proper domain names - well done!) including @chemicalscience.rsc.org; flagging for #Chemsky

Today we have published BioEmu-Benchmarks (MIT license): a code to evaluate the multi-conformation sampling benchmarks, MD free energy landscape benchmarks, and folding free energy benchmarks shown in the BioEmu-1 paper with BioEmu or your own model. Some details below 🧵 github.com/microsoft/bi...

Wer Freiheit sagt, muss vorher Einigkeit und Recht sagen! youtu.be/Lc0n7WuOwDs?...

The currently proposed budget changes to NIH and NSF have absolutely nothing to do with efficiency. They are a full-on assault on science. Trump and Musk want to kill it. Universities who have been silent for fear of losing funds: how’s that working for you? It’s time to fight back.

Join us in beautiful Prague to study molecular physics. My group is offering a PhD position at UCT Prague, Czechia related to #protein - #RNA interactions. For more details, visit mhko.science/p/positions/ or contact us directly at [email protected].

In a great collaboration with @hummerlab.bsky.social and the Kräusslich lab: HIV capsid doesn't break at the NPC; instead, it cracks open the NPC itself! Details in Cell: authors.elsevier.com/sd/article/S... @mpibp.bsky.social @uniheidelberg.bsky.social A thread below:

This is very sad.

Found this again thanks to Kieron. The DFT Song (with apologies to John and Paul) When I find my model’s unpredictive, Walter Kohn just comes to me, speaking words of wisdom, DFTee. ... openscholar.huji.ac.il/sites/defaul... I think I need to sing this more ... #chemsky #compchemsky

Welcome CECAM!🦋

Benoît Roux gave two fantastic lectures this week as part of our department's John Ferry Lectureship series in Macromolecular Science. I thoroughly enjoyed the exciting discussions on many topics in Stat Mech!

東京

AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics A novel machine-learning-based force field for protein thermodynamics. It uses an all-heavy-atom approach without hydrogens to simplify simulations while maintaining key dynamics. pubs.acs.org/doi/10.1021/...

We are hiring postdoctoral associates for lnkd.in/ePm4h4pE Project in collaboration w Mario Motta IBM lnkd.in/e6qpbUSb on Localized Quantum Chemistry Algorithms for Quantum Computers. LASSCF will be integrated with use sample-based quantum diagonalization, recently developed by Mario and IBM

I have faced fascism before, in this very country. I was one of 120,000 Japanese Americans summarily rounded up and expelled from our homes at gunpoint, all for the crime of looking like the people who bombed Pearl Harbor. I spent my childhood behind barbed wire. My parents lost everything. 1/

We are delighted to announce that project 2DPolyMembrane involving prof. Thomas Heine is among the 57 new ERC #Synergy grants! The project was awarded €10 million to develop ultra-thin, high-precision #2D #polymer #membranes! tu-dresden.de/mn/der-berei... 1/3

Join us at Freie Universität Berlin as Post-Doc in molecular simulation of chemical reactions. Dive into rare events, machine-learned force fields & dynamical reweighting. 4 years, 100% TV-L. More details: bcp.fu-berlin.de/en/chemie/ch... #CompChem #machinelearning #postdoc

Next week we will host the 60th Symposium for Theoretical Chemistry at TU Braunschweig, this year’s motto is “Next Generation Theoretical Chemistry” Jonny Proppe and I gave a short interview on this event: magazin.tu-braunschweig.de/en/m-post/ne...

Linda Columbus and I are organizing the BPS Conference Molecular Biophysics of Membranes held in Tahoe on June 2 -7, 2024. The Speaker list is amazing and we will select at least 4 talks a day from submitted abstracts. Register early. Pls repost biophysics.org/2024tahoe

As everyone is talking about Friends today, it seems appropriate to reshare this excellent analysis again. observer.com/2016/04/how-...

Hello, BlueSky! www.compoundchem.com/2014/07/25/p... i0.wp.com/www.compound...