@haroldgrosjean.bsky.social
Computational chemistry & molecular modelling for drug discovery | PhD in Fragment- & structure-based drug design
🚨New preprint
We extract structure–activity relationships (xSAR) directly from HT crystallography of crude reaction mixtures
⚡No hit resynthesis = faster DMTA
📄 doi.org/10.26434/che...
@oxfordbiochemistry.bsky.social
@diamondlightsource.bsky.social
@opig.stats.ox.ac.uk
@philbiggin.bsky.social
#FBDD
We extract structure–activity relationships (xSAR) directly from HT crystallography of crude reaction mixtures
⚡No hit resynthesis = faster DMTA
📄 doi.org/10.26434/che...
@oxfordbiochemistry.bsky.social
@diamondlightsource.bsky.social
@opig.stats.ox.ac.uk
@philbiggin.bsky.social
#FBDD
May 28, 2025 at 8:11 AM
🚨New preprint
We extract structure–activity relationships (xSAR) directly from HT crystallography of crude reaction mixtures
⚡No hit resynthesis = faster DMTA
📄 doi.org/10.26434/che...
@oxfordbiochemistry.bsky.social
@diamondlightsource.bsky.social
@opig.stats.ox.ac.uk
@philbiggin.bsky.social
#FBDD
We extract structure–activity relationships (xSAR) directly from HT crystallography of crude reaction mixtures
⚡No hit resynthesis = faster DMTA
📄 doi.org/10.26434/che...
@oxfordbiochemistry.bsky.social
@diamondlightsource.bsky.social
@opig.stats.ox.ac.uk
@philbiggin.bsky.social
#FBDD
🚨 Binding-Site Purification of Actives
🦾 With robotic chemistry, automated QC & HT crystallography, we skip purification for faster, greener, cheaper SAR and DMTA-cycles!
🔗 doi.org/10.1002/anie...
Thanks to @diamondlightsource.bsky.social @oxfordbiochemistry.bsky.social & co!
🦾 With robotic chemistry, automated QC & HT crystallography, we skip purification for faster, greener, cheaper SAR and DMTA-cycles!
🔗 doi.org/10.1002/anie...
Thanks to @diamondlightsource.bsky.social @oxfordbiochemistry.bsky.social & co!
March 19, 2025 at 8:50 AM
🚨 Binding-Site Purification of Actives
🦾 With robotic chemistry, automated QC & HT crystallography, we skip purification for faster, greener, cheaper SAR and DMTA-cycles!
🔗 doi.org/10.1002/anie...
Thanks to @diamondlightsource.bsky.social @oxfordbiochemistry.bsky.social & co!
🦾 With robotic chemistry, automated QC & HT crystallography, we skip purification for faster, greener, cheaper SAR and DMTA-cycles!
🔗 doi.org/10.1002/anie...
Thanks to @diamondlightsource.bsky.social @oxfordbiochemistry.bsky.social & co!
Reposted
Congratulations to Harold Grosjean, Anthony Aimon, Storm Hassell-Hart and Warren Thompson, on their latest work appearing in @angewandtechemie.bsky.social, where small-molecule binders can be extracted directly from crude-reaction mixtures - cool!
onlinelibrary.wiley.com/doi/10.1002/...
onlinelibrary.wiley.com/doi/10.1002/...
Binding‐site purification of actives (B‐SPA) enables efficient large‐scale progression of fragment hits by combining multi‐step array synthesis with HT crystallography
Fragment approaches are long-established in target-based ligand discovery yet their full transformative potential lies dormant, because progressing hits to potency remains underserved by methodologic...
onlinelibrary.wiley.com
February 12, 2025 at 11:58 AM
Congratulations to Harold Grosjean, Anthony Aimon, Storm Hassell-Hart and Warren Thompson, on their latest work appearing in @angewandtechemie.bsky.social, where small-molecule binders can be extracted directly from crude-reaction mixtures - cool!
onlinelibrary.wiley.com/doi/10.1002/...
onlinelibrary.wiley.com/doi/10.1002/...