Roland Dunbrack πŸ³οΈβ€πŸŒˆ's Avatar

Roland Dunbrack πŸ³οΈβ€πŸŒˆ

@rolanddunbrack.bsky.social

Computational structural biologist @Fox Chase Cancer Center. Gay, out & proud since 1986. I support transgender & nonbinary people. Living with CLL/SLL. Video about my LGBTQ+ life in science: https://tinyurl.com/45srzjdw. Views my own, not my employer's.

4,535 Followers  |  3,751 Following  |  998 Posts  |  Joined: 19.09.2023  |  2.2255

Latest posts by rolanddunbrack.bsky.social on Bluesky

Assistant, Associate to Professor DOQ

Univ. of Utah & Huntsman Cancer Institute are seeking tenure-track faculty in cancer biology (broadly defined), especially in combining experimental & computational structural approaches (incl. AlphaFold & other AI/LLM tools) to study cancer-relevant signaling.
utah.peopleadmin.com/postings/189...

28.10.2025 07:56 β€” πŸ‘ 3    πŸ” 6    πŸ’¬ 0    πŸ“Œ 0
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Predicting Experimental Success in De Novo Binder Design: A Meta-Analysis of 3,766 Experimentally Characterised Binders Designing high-affinity de novo protein binders has become increasingly tractable, yet in vitro prioritisation continues to depend on heuristics in the absence of systematic analysis. Here, we present...

Similar to the results of Overath et al., ipSAE behaves better than ipTM and other scores in discriminating true from false (or poorly modeled) complex structures.

www.biorxiv.org/content/10.1...

28.10.2025 07:47 β€” πŸ‘ 6    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

Moriwaki et al. used our ipSAE metric (github.com/DunbrackLab/IPSAE) and ipTM to evaluate predicted structures of protein complexes in biosynthetic gene clusters.

They "found that ipSAE showed greater discriminative power than ipTM in identifying true binding pairs among highly similar proteins."

28.10.2025 07:47 β€” πŸ‘ 7    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0

And Trump is 6’3” and 230 pounds. Yeah, right.

28.10.2025 00:05 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

This would make a good @theonion.com headline.

27.10.2025 23:05 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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GitHub - DunbrackLab/IPSAE: Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3 Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3 - DunbrackLab/IPSAE

The ipSAE code outputs how many residues in each chain have PAE<cutoff with respect to each other chain. The cutoff can be set on the command line (I use 10 Γ… usually). The pymol scripts list the residues for each chain pair < cutoff.

www.biorxiv.org/content/10.1...
github.com/DunbrackLab/...

27.10.2025 07:06 β€” πŸ‘ 6    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

It’s weird that British Airways does not know how to conjugate Middle English verbs: β€œMay we haveth your attention?”

24.10.2025 12:40 β€” πŸ‘ 2    πŸ” 1    πŸ’¬ 0    πŸ“Œ 0

Umm, adding 90,000 sq feet is the biggest ever. And you forgot to mention that he’s lying about it.

24.10.2025 08:03 β€” πŸ‘ 2    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0
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@us.theguardian.com headline: millions marched today. @nytimes.com headline: why they can’t be bothered to count crowds. Earlier their article said β€œ1000s marched…”. They’ve changed it to β€œlarge numbers.”

I read the Guardian first every day. Then check the Times until it pisses me off too much.

18.10.2025 19:55 β€” πŸ‘ 5    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0
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More from the LARGE "No Kings" rally here in #Philadelphia. #Philly has a history of telling kings to fuck off! #NoKings #StrongerTogether #PowerToThePeople #GoBirds #NoKingsDay

18.10.2025 18:17 β€” πŸ‘ 24    πŸ” 8    πŸ’¬ 2    πŸ“Œ 0

Listen to this. πŸ³οΈβ€βš§οΈπŸ³οΈβ€πŸŒˆ

13.10.2025 16:32 β€” πŸ‘ 6    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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We need to talk about Russell Vought – But Properly Why certain mainstream outlets insist on sanitizing Vought as a devout β€œsmall government” conservative – and what actually animates his war against pluralistic democracy

Sunday reading:

I wrote about the aggrieved extremist who is currently firing thousands of federal workers and ravaging state capacity based on conspiratorial nonsense - and about mainstream media’s infuriating tendency to sanitize Russell Vought and the regime he serves.

This week’s piece:

12.10.2025 13:08 β€” πŸ‘ 3758    πŸ” 1566    πŸ’¬ 82    πŸ“Œ 161
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Philly’s Scrapple Sculpting Contest was won by a Delco tattooer who carved the Tush Push Philadelphia Art Museum director and CEO Sasha Suda, who judged the competition, said the winning sculpture pushed scrapple "to its absolute limits."

Very Philly.

Philly’s Scrapple Sculpting Contest was won by a Delco tattooer who carved the Tush Push www.inquirer.com/columnists/s...

12.10.2025 00:25 β€” πŸ‘ 2    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

My next dissertation

12.10.2025 00:05 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

It’s like the Carol Burnett version of Game of Thrones.

11.10.2025 23:10 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

He’s never deserved it. But also this has never occurred to me.

11.10.2025 23:08 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0
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Opinion | Trump’s β€˜Compact’ With Universities Is Badly Needed

Thank you @nytopinion.nytimes.com for publishing this rot. Marc Rowan has run hundreds of companies into the dust to extract profits from their failure and bankruptcies. Now he wants to do the same to American higher education. Do not believe a word this man says. 1/ www.nytimes.com/2025/10/10/o...

10.10.2025 10:03 β€” πŸ‘ 638    πŸ” 194    πŸ’¬ 11    πŸ“Œ 23

No, downloaded code. You can’t do drug ligands on the server. We are not doing any high throughput computational screening.

10.10.2025 14:42 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0

Dumb question: if you have a lead compound you want to dock to a protein and you're in a non-profit institution not working with a commercial entity, can you (legally) use AlphaFold3 and LATER commercialize the lead compound (or its derivative)?

10.10.2025 07:42 β€” πŸ‘ 5    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0

Did Schumer hire a new social media team?

09.10.2025 23:43 β€” πŸ‘ 561    πŸ” 61    πŸ’¬ 25    πŸ“Œ 2

They could do a series called β€œLost credibility.”

09.10.2025 00:26 β€” πŸ‘ 136    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0

β€œβ€¦eliminate them from the existence…”

09.10.2025 00:00 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

Yes, he is a small man that way.

07.10.2025 07:02 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

More than that - he has negative 5'10" energy.

07.10.2025 03:09 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

No, he's 5'10". She made that up to make fun of his appearance. Should have found another way.

07.10.2025 02:07 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

Thanks. But through this thread, there is a presupposition that short guys will overcompensate/be angry. I don't think most of us are. Everyone has insecurity over something. If we flipped this & said some women in the administration were hateful because of some bodily attribute, how would it sound?

07.10.2025 02:00 β€” πŸ‘ 6    πŸ” 0    πŸ’¬ 2    πŸ“Œ 0

I'm pretty sure the most hateful guys in this government are reasonably tall (Trump (6'something, Hegseth 6'0", Miller 5'10", Sam Alito is taller than Trump in photos).

Short guys are not on average more hateful bigots than tall guys.

Find another explanation.

07.10.2025 01:56 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0

He's 5'10". Don't put this on short guys. He's just a hateful bigot for some other reason.

07.10.2025 01:51 β€” πŸ‘ 11    πŸ” 0    πŸ’¬ 4    πŸ“Œ 0

Why aren’t major news channels sending reporters to Portland and Chicago, and then refuting the Trump regime’s claims on live TV?

Oh! Because headlines are more profitable than facts. Residents be damned.

06.10.2025 21:51 β€” πŸ‘ 151    πŸ” 15    πŸ’¬ 6    πŸ“Œ 1

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