Tom Terwilliger

350 Followers
252 Following
155 Posts
I am a member of the Phenix team developing tools for X-ray #crystallography and #cryoEM (http://www.phenix-online.org). I'm particularly interested in model-building, using #AlphaFold for map interpretation and improvement of density maps. You can find more about me at http://solve.lanl.gov/terwilliger, and on Mastadon @terwill tom
Home pagehttps://solve.lanl.gov/terwilliger/
Phenix web sitehttps://phenix-online.org/
Need help with running Phenix? Try the new Phenix chatbot https://phenix-online.org/chatbot . It may not be quite the same as asking the Phenix developers for help, but it is a lot quicker and, maybe for a while, more fun! You can ask it anything about what Phenix does or how to run any program. It isn't perfect, but it really knows those 600 pages of documentation!

Hi Structural biologists!

Here is our article that helps you make the case that the experiment is still very much needed: https://www.nature.com/articles/s41592-023-02087-4

"AlphaFold predictions are valuable hypotheses and accelerate but do not replace experimental structure determination." Nature Methods (2023)

#Crystallography #MX #PDB #Alphafold #StructuralBiology @strucbio

AlphaFold predictions are valuable hypotheses and accelerate but do not replace experimental structure determination - Nature Methods

An analysis of AlphaFold protein structure predictions shows that while in many cases the predictions are highly accurate, there are also many instances where the predicted structures or parts of predicted structures do not agree with experimentally resolved data. Therefore, care must be taken when using these predictions for informing structural hypotheses.

Nature
RT @Jenny_STEM
Great to see that the ⁦@IUCr2023⁩ Congress to be held in Melbourne will offer on-site childcare #EquityDiversityInclusion #crystallography ⁦@IUCr⁩
RT @IUCr2023
Thanks to those nearly 900 people who submitted their abstracts this week - we are set for a fantastic meeting! #IUCr2023 #Crystallography

Wondering just how accurate #AlphaFold models are?

For 102 recent structures, 80% of side chains agreed with the deposited model... but 20% did not and 7% were clearly incompatible with experimental data.

@buildmodels @PDBeurope @DeepMind

https://www.biorxiv.org/content/10.1101/2022.11.21.517405v1

Wondering just how accurate #AlphaFold models are? Here is a handy chart!

The median error for high-confidence residues is just 0.6 Å!
Caution: 10% are off by over 2 Å.

#AlphaFold predictions are great #hypotheses

@buildmodels @PDBeurope @DeepMind

https://www.biorxiv.org/content/10.1101/2022.11.21.517405v1

Wondering just how accurate #AlphaFold models are?

Here are high-confidence (pLDDT > 90) regions of #AlphaFold predictions compared with experimental data.

#AlphaFold predictions are great #hypotheses

@buildmodels @PDBeurope @DeepMind

https://www.biorxiv.org/content/10.1101/2022.11.21.517405v1

#AlphaFold #AI with #Phenix #PredictAndBuild makes #Crystallography easier: All you need is your #Xray data and a sequence file.

#AlphaFold2 generates a #hypothesis, #PredictAndBuild compares it to the data, improves it and feeds it back to #AlphaFold2 to create a better #hypothesis.

(Fully automatic. Requires current nightly build of #Phenix from https://phenix-online.org)

https://www.biorxiv.org/content/10.1101/2022.11.18.517112v1

Phenix

Phenix online main site

RT @d_brueckner
2. Sync your Twitter & #Mastodon account 🔁

Many won't want to give up Twitter yet (or ever), but doing 2 platforms is challenging

There's a simple tool to cross-post: https://moa.party 🎉

Everything you post on #Mastodon will show on Twitter & vice-versa 🤩

Moa: Mastodon/Twitter/Instagram Crossposter

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