Roland Dunbrack 🏳️🌈
@rolanddunbrack
Computational structural biologist. Gay, out & proud since 1986. I support transgender & nonbinary people. Living with CLL/SLL. Video about my LGBTQ+ life in science: Views my own, not my employer's.
I still don't think I'll ever get over this. Michael Levitt on JayB. PodcastJay today was standing behind Trump and listening to RFKJr decimate the vaccine schedule. Last year, I did get JayB's wikipedia page to stop calling him a "physician-scientist" because he is neither.
Only 123/437 catalytically active human PKs have active PDB structures. So w/ AlphaFold2, we modeled all 437. We used our ipSAE score in an intramolecular form by aligning on kinase domain residues & scoring the activation loop. It had high correlation w/ better RMSDs to experimental structures...
We performed extensive structural bioinformatics of substrate-bound structures in the PDB and derived rules for ATP/Mg++ & substrate-binding, the latter usually ignored in determining "active" structures. The N & C-term ends of the activation loop need to be properly positioned to bind substrate...
Our paper on the active form of human protein kinases is out in Biochemical Journal from @biochemsoc.bsky.social . Great experience with the journal, unlike another journal that begins with "Nat" and ends with "omms." doi.org/10.1042/BCJ2... Made the cover in August (paper came out in July)...
The newspaper you work for are cowards - bc the headline has already turned into a watered down lie:
Actually the Greek version is perfectly readable by English speakers. (Borrowed from earlier reply).
The thing I don’t like about Union Station is that the elegant hall in the front is used for no purpose whatsoever, while the area by the entrance to the tracks is like a rundown Greyhound Station. Also there were 4 National Guard troops in the Dupont Circle metro doing nothing and looking bored.
I came out on July 11, 1986 (at a Garden Party at the University of Cambridge in the UK). 40 years out! Some old photos from 1986-1987.
I tried discussing his piece with him on the hell-site. We did not get very far before the anti-queer, anti-trans crowd let all hell loose on me and everyone else trying to discuss how his article endangers anyone who doesn't fit his mold of "good gay not queer." I had to block most of them. Ugh.
Dropped by Independence Hall today. Happy 4th — looking forward to a better country than we have now.
What's really, really funny is that Joyce Carol Oates took the time to tell me off today. I'm honored.
I think @biorxivpreprint.bsky.social is having a bad day.
I gave a workshop on AlphaFold & related programs @ the University of Utah. Part 1 covers protein structure prediction before/after AlphaFold & deep learning neural networks. Part 2 covers the math behind the scores. Part 3 covers PyMOL & the webservers. youtube.com/@rolanddunbr...
STOP using ipTM for #AlphaFold PPI screens. * Artificially LOW when both full-length proteins have irrelevant, non-binding IDRs/domains. * If one protein is folded & other contains irrelevant IDRs or domains, the score is too HIGH bc of d0. * Use ipSAE or LIS. www.biorxiv.org/content/10.1...
I made a better one. My favorite kinase, Aurora A. Happy Pride! 🏳️🌈🏳️⚧️
I wonder if my F#ck Donald Trump banner is going to get me in trouble. Too late to take it down.
My PO said I had to fill out this form for 3 of my papers for the RPPR of my NIGMS MIRA grant in February, or I could not include them in my progress report. It looks like things have gotten even worse since then.
$1.5 billion over 10 years is not much. They are slow-walking grants this Fiscal year. Don't take anything this administration says at face value.
They will likely do good things. But it's the hubris: "All disease." I wonder if they know the rate at which clinical trials fail for unknown, unpredictable reasons.
Why is PubmedCentral making me do one of these goddamned things?
Sometimes I browse the hellsite. It really is hell over there. It shows me a lot of HHS, Bhattacharya/Kennedy propaganda. But I saw this today. 🏳️⚧️🏳️🌈
Except it isn't. This kind of post just allows "progressives" the opportunity to make homophobic jokes they wouldn't otherwise feel free to make. They hate conservatives (fine with me) so insinuate they're all gay because that's the biggest insult they can think of.