Miłosz Wieczór

...by confronting our expectations with the "reality" of simulations.

Looking forward to your comments and opinions - please share what you think!

In the conversation, we explore the history of adaptive biasing force, or ABF, and its applications to #membrane systems or #alchemical simulations. We also discuss how to create impactful and useful #software, and make sure humans learn from interacting with biomolecular systems...

Episode 29 - Jérôme Hénin: Free energy methods, building useful software, and human learning from biomolecular systems Phase Space Invaders (ψ) · Episode

Episode 29 of the Phase Space Invaders #podcast features Jérôme Hénin @jerome-henin.bsky.social! Give it a listen on Spotify or other podcasting platforms: open.spotify.com/episode/23q9...

...using #Japan as an example where active effort is needed to remain well-integrated in the network.

I love to hear your feedback, and any questions or requests you might have about future episodes - don't hesitate to write!

...the development of tools for large-scale simulations within Yuji's code #GENESIS, and the current efforts toward #multiscale simulation of biologically relevant condensates. We also discuss the connectivity of the global scientific community, ...

Phase Space Invaders (ψ) With the convergence of data, computing power, and new methods, computational biology is at its most exciting moment. At PSI, we're asking the leading researchers in the field to discover where we're ...

Another episode of Phase Space Invaders is out, and today, my guest number 28 is Yuji Sugita! You can find the #podcast on all platforms, including Spotify and Apple Podcasts: buzzsprout.com/2313153

In the conversation, we cover the birth of replica exchange simulations, ...

Miłosz Wieczór I'm running the Phase Space Invaders podcast, interviewing top-tier researchers to explore new directions, perspectives and ideas in computational biology. Community funding allows me to reach new aud

...From his vast experience, Kresten also shares some tips for writing better grant proposals.

Looking forward to your feedback, and remember you can support the podcast on buymeacoffee.com/phasespaceinvaders ☕

In our conversation, Kresten gives great concrete examples of experimental developments being translated into breakthroughs in computational biophysics, as well as summarizes his latest research on proteome-wide coarse-grained modeling of intrinsically disordered protein regions. ...

Phase Space Invaders (ψ) With the convergence of data, computing power, and new methods, computational biology is at its most exciting moment. At PSI, we're asking the leading researchers in the field to discover where we're headed for, and which exciting pathways will ta...

Phase Space Invaders' episode 27 is now online, featuring Kresten Lindorff-Larsen @lindorfflarsen.bsky.social! Listen to it on Spotify or other platforms: www.buzzsprout.com/2313153

Miłosz Wieczór I'm running the Phase Space Invaders podcast, interviewing top-tier researchers to explore new directions, perspectives and ideas in computational biology. Community funding allows me to reach new aud

...and the evolving role of academia.

A reminder that your feedback is always welcome, and that you can now support the podcast at buymeacoffee.com/phasespaceinvaders 🙌

We talk about what the current AI models are missing about statistical mechanics, and what the pathway might be to merge the two back together. With Pratyush's unbounded thirst for understanding complex matters, though, he also shares his thoughts on education, cognition and learning, creativity...

Phase Space Invaders (ψ) With the convergence of data, computing power, and new methods, computational biology is at its most exciting moment. At PSI, we're asking the leading researchers in the field to discover where we're ...

Phase Space Invaders episode 26 is here, and this week I'm talking to Pratyush Tiwary! Listen to the podcast on Spotify or your favorite app: www.buzzsprout.com/2313153

#PCBCommunity |🍰 Aquest matí, els #PCBakers han celebrat l’ #Endorfest en suport de la investigació per l’ #endometriosi, una malaltia ginecològica que afecta el 10% de les dones en edat fèrtil a Espanya🌸. Els fons recaptats es destinaran a la recerca que porta a terme @hospitalclinic.bsky.social 🤝

Miłosz Wieczór I'm running the Phase Space Invaders podcast, interviewing top-tier researchers to explore new directions, perspectives and ideas in computational biology. Community funding allows me to reach new aud

You can now support the podcast via buymeacoffee.com/phasespaceinvaders, yet there's nothing I value more than your direct feedback! If you have questions that should be asked or discussed, write to me - I will either ask them to my future guests or try to answer myself in the season finale.

With Ivet, we take a network-centric look at protein structures, discussing the evolution of dynamic signatures, allosteric communication, and bridging scales through the lens of elastic networks. Be persistent but alert - here's the advice Ivet has for young scientists starting their careers.

Phase Space Invaders (ψ) With the convergence of data, computing power, and new methods, computational biology is at its most exciting moment. At PSI, we're asking the leading researchers in the field to discover where we're ...

It took a while, but... the podcast is back! In episode 25, and opening season 4 of Phase Space Invaders, my guest is Ivet Bahar - find our conversation on Spotify, or check for other platforms on Buzzsprout: www.buzzsprout.com/2313153

This is a great tool for blind exploration of chemical/conformational space, try it out!

Beautiful stuff! 😲

Unveiling the Complete Spectrum of SARS-CoV-2 Fusion Stages by In Situ Cryo-ET https://www.biorxiv.org/content/10.1101/2025.02.25.640151v1

Impressive scaling of Gromacs!

Quite notably though, there's almost a hard performance limit at small systems sizes. With a 4fs time step, 1-1.5 microsecond/day seems to be the new standard, at which point it only makes sense to invest in more replicas

GOAT: A Global Optimization Algorithm for Molecules and Atomic Clusters In this work, we propose a new Global Optimization Algorithm (GOAT) for molecules and clusters of atoms and show how it can find the global energy minima for both systems without resorting to molecul...

The paper on ORCA 6’s Global Optimization Algorithm GOAT is finally published at Angewandte Chemie! Feel free to try Bernardo's (@bernadsz.bsky.social) algorithm to generate conformer ensembles and much more.

doi.org/10.1002/anie...

Tutorial on GOAT: www.faccts.de/docs/orca/6....

#ORCAqc #ChemSky

Although barely discussed outside neurology, cerebral small vessel disease is a major aging-related driver of stroke, dementia, and disability🧠

It is a major public health concern without an available treatment📈

Huge unmet clinical need❗️

Incredible that whenever an otherwise user-friendly service gets taken over by @microsoft.com, it turns into hell on Earth. And it's literally every single one of them - that takes dedication! 🧐

This isn't a surprising but it is devastating.

The great betrayal of Ukraine begins.

We, in Europe, are in a place of danger.

We all owe Ukraine & its people a debt of gratitude for its extraordinary courage. 😢

I'd hope this eventually pushes America into understanding the importance of stable public funding for research institutions, but my bet is it will turn them into VC corporations instead

Clann Zú - Rua (Full Album) YouTube video by swurviie

I'm checking it out, thanks! I've been listening to good ol' Clann Zú these days, they disbanded two decades ago but still sound fresh (and sad):

www.youtube.com/watch?v=7jcJ...

Nice! Just today I had to use openbabel for a workaround, good to know this exists 🙌

My Spotify recommendations are all weird branches of experimental black/atmospheric metal now but I still keep that one playlist with cute Catalan songs, can relate 😂

I've always said it: some condensed matter physicists should look at moshpits at metal concerts 🧐

Who's going to #BPS2025?

Please join us at the MGO Symposium @mgo-bps.bsky.social on Saturday 1:30 pm Room 511ABC

Featuring experiments, simulations, and all the scales by
@serenasanulli.bsky.social @melikel.bsky.social
@maristizabal.bsky.social @janhuemar.bsky.social and more

Please repost! 🚀✨