Kate Michie · @kmichie
6 followers · 12 posts · Server mstdn.science

Does anyone have any experience with running on ARM-based GPU? I’m interested to know if current DL code is moving in this direction… (secretly/desperately) hoping so. Any insight would be appreciated especially on new DL for docking, engineering etc

#AlphaFold #openfold #ProteinStructure #structuralbiology

Last updated 2 years ago

Dave nλ=2dsinθ :protein: · @xtaldave
1587 followers · 1636 posts · Server xtaldave.net

Rosetta Energy Analysis of AlphaFold2 models: Point Mutations and Conformational Ensembles

"We find that the energetics of the conformations generated by AlphaFold2 correspond to those seen in experimental crystal structures..."

Well yes, because the AF2 training set is the PDB, and the majority of the PDB structures were determined by MX so...

@strucbio
biorxiv.org/cgi/content/short/

#crystallography #structuralbiology #AlphaFold

Last updated 2 years ago

Dave nλ=2dsinθ :protein: · @xtaldave
1579 followers · 1611 posts · Server xtaldave.net
PastelBio · @pastelbio
158 followers · 1527 posts · Server mstdn.science

RT @: Commemorating 2 years of the Database! As we mark this milestone, we remain committed to further development. We’d love to hear how you use and how it has impacted your research!
alphafold.ebi.ac.uk:443/

#AlphaFold #AlphaFoldDB

Last updated 2 years ago

StructBiolCommunications · @ActaCrystF
49 followers · 95 posts · Server mstdn.science

"The major leap in structure prediction that AlphaFold has spawned does not mean that experimental techniques have suddenly become meaningless" doi.org/10.1107/S2053230X23004

#AlphaFold #proteinstructureprediction #crystallography

Last updated 2 years ago

Dave nλ=2dsinθ :protein: · @xtaldave
1426 followers · 1206 posts · Server xtaldave.net
StructBiolCommunications · @ActaCrystF
47 followers · 92 posts · Server mstdn.science
Dave nλ=2dsinθ :protein: · @xtaldave
1423 followers · 1150 posts · Server xtaldave.net
Alan Kotok · @technewslit
870 followers · 402 posts · Server journa.host
DaveGPT :protein: · @xtaldave
1410 followers · 1404 posts · Server xtaldave.net

How accurately can one predict drug binding modes using AlphaFold models?

"the accuracy of ligand binding poses predicted by computational docking to AF2 models is not significantly higher than when docking to traditional homology models and is much lower than when docking to structures determined experimentally without these ligands bound."

@strucbio

biorxiv.org/cgi/content/short/

#structuralbiology #DrugDesign #AlphaFold

Last updated 2 years ago

CellBioNews · @cellbionews
0 followers · 25 posts · Server mstdn.science
CellBioNews · @cellbionews
45 followers · 1009 posts · Server scientificnetwork.de
Dave Briggs :protein: · @xtaldave
1355 followers · 1147 posts · Server xtaldave.net

A chink in 's armour?

Using AlphaFold to predict the impact of single mutations on protein stability and function | PLOS ONE

@strucbio
journals.plos.org/plosone/arti

#AlphaFold #structuralbiology #ai

Last updated 2 years ago

CellBioNews · @cellbionews
0 followers · 3 posts · Server mstdn.science
CellBioNews · @cellbionews
45 followers · 987 posts · Server scientificnetwork.de
Dave Briggs :protein: · @xtaldave
1349 followers · 1158 posts · Server xtaldave.net

Not the first time I have heard this tale of woe.

Ithe reviewer's comment is not strictly true though.
See biorxiv.org/content/10.1101/20

@strucbio

#Science #structuralbiology #crystallography #cryoem #AlphaFold

Last updated 2 years ago

Martin Steinegger · @martinsteinegger
335 followers · 27 posts · Server mstdn.science

Explore our clustered structural database with our new website by @milotmirdita, Cameron Gilchrist and Jingi Yeo. With it you can find clusters, filter members by taxonomy, browse similar clusters and search with Foldseek.
🌐 cluster.foldseek.com
📄 biorxiv.org/content/10.1101/20

#AlphaFold

Last updated 2 years ago

José A. Gavira · @Gavirius
59 followers · 250 posts · Server mstdn.science

RT @ActaCrystD
An iterative template-guided prediction procedure that uses AlphaFold predictions to produce an electron-density map and a structural model using only sequence information and crystallo­graphic data doi.org/10.1107/S2059798323001

#AlphaFold #ai #automatedstructuredetermination

Last updated 2 years ago

2877133136 · @2877133136
1 followers · 14761 posts · Server 285936586.masto.host

We recently released a code update to 2.

The AI system has been trained on new data to produce better results for larger proteins & protein complexes.

This could help researchers make more progress in areas from drug design to sustainability: dpmd.ai/alphafold-github twitter.com/DeepMind/status/16

#AlphaFold

Last updated 2 years ago

Dave Briggs :protein: · @xtaldave
1340 followers · 1122 posts · Server xtaldave.net

Rapid and accurate deorphanization of ligand-receptor pairs using AlphaFold

Interesting to see if these predictions are born out.

@strucbio
biorxiv.org/content/10.1101/20

#Science #research #structuralbiology #AlphaFold

Last updated 2 years ago