Marcelo D. Polêto's Avatar

Marcelo D. Polêto

@mdpoleto.bsky.social

Computational Biochemist @uspoficial.bsky.social - Molecular simulations | Drude Polarizable FF | Enzyme engineering | Sustainability ♻️. Trying to grow my own agroforestry system 🌳🫒. he/him 🇧🇷 https://mdpoleto.github.io/

682 Followers  |  397 Following  |  248 Posts  |  Joined: 28.07.2023  |  1.9529

Latest posts by mdpoleto.bsky.social on Bluesky

29.10.2025 11:29 — 👍 1    🔁 0    💬 0    📌 0
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Brazil implements reverse logistics system for plastic packaging and boosts recycling | TV BRICS, 23.10.25 Brazil has announced the launch of a Reverse Logistics System for Plastic Packaging as part of its National Solid Waste Policy

"Under the new regulations, Brazil aims to recover and recycle 50 per cent of all packaging by 2040, with an interim target of 32 per cent by 2026."

That's a great step in the right direction. 👏👏 We have the necessary technology to do so, might as well use it.

tvbrics.com/en/news/braz...

27.10.2025 02:14 — 👍 0    🔁 0    💬 0    📌 0

😮😮😮😮

25.10.2025 22:24 — 👍 6    🔁 2    💬 0    📌 0
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Drude Polarizable Force Field for Phosphorylated Polypeptides and Proteins Phosphorylation is a ubiquitous post-translational modification used across all domains of life to regulate protein stability, folding, subcellular localization, function, and activity. The most commo...

Polarizable FF news!! 🧪⤵️

www.cell.com/biophysj/abs...

24.10.2025 21:22 — 👍 3    🔁 2    💬 0    📌 0
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TorchANI 2.0: An Extensible, High-Performance Library for the Design, Training, and Use of NN-IPs In this work, we introduce TorchANI 2.0, a significantly improved version of the free and open source TorchANI software package for training and evaluation of ANI (ANAKIN-ME) deep learning models. Tor...

If you used our ANI MLIPs, you probably used our TorchANI library. Now, new and improved version 2.0. Use it, enjoy it, break it, let us know what you did or tried to do with it. doi.org/10.1021/acs.jcim.5c01853
@ignaciopickering.bsky.social @nickterrel.bsky.social @khuddleston.bsky.social

17.10.2025 21:32 — 👍 19    🔁 8    💬 0    📌 0

I'm working on a lab values statement for my new (baby) lab! Does anyone have good examples I can look at or advice they'd be curious to share? I have most of mine written but I want to make sure im not missing important concepts.

14.10.2025 19:06 — 👍 2    🔁 3    💬 0    📌 0

(I had to mute the video to be able to finish it)

Horrible choice of tie. It gives Italy 1922-1943 and brings out an authoritarian vibe. 10/10 not recommended (for Office).

16.10.2025 11:05 — 👍 1    🔁 0    💬 0    📌 0
Uma placa na qual é possível ver duas mãos segurando. A placa diz "paguem mais aos professores"

Uma placa na qual é possível ver duas mãos segurando. A placa diz "paguem mais aos professores"

15.10.2025 12:25 — 👍 1338    🔁 502    💬 11    📌 34
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Carbon dioxide removal is not a current climate solution — we need to change the narrative Drastically reduce emissions first, or carbon dioxide removal will be next to useless.

In recognition of us doing fuck all to reduce emissions, let me remind y'all that carbon dioxide removal (CDR) is useless unless we decarbonize drastically.

rdcu.be/dbFbB

29.10.2024 11:15 — 👍 3681    🔁 996    💬 120    📌 48

This is what ice is doing

10.10.2025 21:02 — 👍 6185    🔁 2366    💬 136    📌 46

Get ready to be asked to send confirmation through FAX 👀

08.10.2025 10:58 — 👍 1    🔁 0    💬 1    📌 0
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The 2025 chemistry Nobel goes to MOFs Susumu Kitagawa, Richard Robson and Omar M. Yaghi win the prize for developing metal–organic frameworks

The 2025 #NobelPrize in Chemistry has been awarded to Susumu Kitagawa, Richard Robson and Omar M. Yaghi “for the development of metal–organic frameworks.” Stay tuned for the full story to come! cen.acs.org/people/nobel...

#ChemNobel #Chem #Chemistry #chemsky 🧪

08.10.2025 10:12 — 👍 147    🔁 66    💬 2    📌 15

I know this has been one of the most widely requested features. Should be in the release on 10/23

#chemsky #compchemsky #opensource

06.10.2025 14:02 — 👍 35    🔁 4    💬 2    📌 0

The same logic applies. Maintenance, parts, transport, energy distribution, etc. Indirect GHG emissions may be huge depending on how the logistics are (not) planned nationally.

But the only way to know is to actually crunch the numbers and check 🤷‍♂️

The world sure hopes it is negligible 😅

04.10.2025 01:47 — 👍 1    🔁 0    💬 0    📌 0

That will depend on the type of power plant. Assuming solar, there will be GHG emissions associated with producing new parts (mining minerals, actually fabricating the parts, etc), transporting them (produced locally? Or shipped across the world?), and so on...

Those indirect emissions can be huge!

04.10.2025 01:38 — 👍 0    🔁 0    💬 1    📌 0

This peanut butter paste was specifically formulated to help end famine and starvation.

This is genocide.

28.09.2025 23:08 — 👍 562    🔁 168    💬 7    📌 2

Looks like the original post was deleted, here is the updated one.

25.09.2025 10:30 — 👍 3    🔁 1    💬 0    📌 0

O manto mais significativo dos últimos meses! 🏴‍☠️

22.09.2025 21:43 — 👍 2    🔁 0    💬 0    📌 0

Disable this setting on #LinkedIn
#NoToAI

www.linkedin.com/mypreference...

18.09.2025 16:38 — 👍 4    🔁 4    💬 0    📌 0
Imagem: lixo plástico ao longo da costa de Cingapura.
Texto: A tragédia persistente do plástico
A poluição por plásticos é a segunda maior ameaça ambiental ao planeta, atrás apenas das mudanças climáticas

Imagem: lixo plástico ao longo da costa de Cingapura. Texto: A tragédia persistente do plástico A poluição por plásticos é a segunda maior ameaça ambiental ao planeta, atrás apenas das mudanças climáticas

Por que as negociações contra poluição plástica continuam fracassando?

A luta contra a poluição plástica não fracassa por falta de solução, mas por falta de decisão
www.ecodebate.com.br/2025/09/16/p...

16.09.2025 12:00 — 👍 7    🔁 4    💬 0    📌 0

Looking forward to seeing the amazing science from your group! 🥳🥳

15.09.2025 18:53 — 👍 1    🔁 0    💬 1    📌 0

The calls are officially up for the @researchireland.ie postgrad/postdoc programs! I can sponsor one applicant for each program to work @coreacter.org @ucddublin.bsky.social School of Chemistry. Please reach out if interested, and please share widely!

⚗️ 🧪 #CompChem

11.09.2025 10:26 — 👍 12    🔁 5    💬 0    📌 1
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The latest @livecomsjournal.bsky.social tutorial "Molecular Dynamics: From Basics to Application" by Vollmers, Chen et al is out now! doi.org/10.33011/liv...

It includes comprehensive MD tutorials in GROMACS, covering forcefields, thermodynamic ensembles, long-range electrostatics and much more!

09.09.2025 12:19 — 👍 29    🔁 10    💬 1    📌 1


Se os perfis progressistas (ambientalistas incluídos) engajassem os conteúdos progressistas com o mesmo 'amor' e empenho com que engajam conteúdos da extrema-direita certamente a esquerda seria dominante nas redes.

Impulsionar os adversários e não os companheiros é incrivelmente absurdo.

08.09.2025 15:02 — 👍 27    🔁 9    💬 0    📌 0

Congrats Martin! 🎉🥳

04.09.2025 10:45 — 👍 1    🔁 0    💬 0    📌 0

I was gonna say

"Tom Clancy's and the Philosopher's Stone"

but the author already ruined it for millions of people.

28.08.2025 00:01 — 👍 2    🔁 0    💬 0    📌 0

You don’t really think of AI as being bad for the environment

After all, it’s only computers. How could that possibly be so bad

But the truth is, it’s VERY harmful

24.08.2025 23:27 — 👍 324    🔁 164    💬 8    📌 5

I keep seeing the Trump-Intel deal called socialism, but there’s a term for this. This parallels what Mussolini did—the Italian state was one of the world’s largest industrial owners while keeping private companies. Nazi Germany did this too. So did Francoist Spain. It’s called state corporatism.

26.08.2025 05:37 — 👍 405    🔁 165    💬 14    📌 7

I somehow missed this paper when it came out but it seems exactly what I've been looking out for one of our projects. Thanks for sharing!

25.08.2025 21:04 — 👍 2    🔁 0    💬 1    📌 0

Eu jurava que a história ia acabar dizendo q a nota delas foi tarifada em 50%...

23.08.2025 23:07 — 👍 4    🔁 0    💬 0    📌 0

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