I enjoyed presenting @ExscientiaAI’s work on #Automated#MachineLearning analysis of HTS results at @GDCh_Wifo. We showed how as part of our #DrugDiscovery pipeline, we build an ad hoc #Bayesian model and use multi-parameter optimisation to pick the best compounds to retest
Why are lipids common in natural products and how could probes and pharmacophores benefit from this conjugation? Very excited to share our systematic study on lipid conjugation of small molecules. @AliceCapecchi @Konstan44550558 @reymondgroup@DirkTrauner
https://t.co/BReQ2kjeTS
Congrats, Dr. Capecchi!!
@AliceCapecchi defended her PhD at @DCBunibern.
She presented all her excellent work on #MAP4 fingerprints, classification of natural products and de novo design of antimicrobial peptides. Very well deserved! 💯
#compchem#AI4NP@reymondgroup@unibern
Machine learning unveils novel non-hemolytic antimicrobial peptides against P. aeruginosa, A. baumannii, and MRSA. It's now published in @ChemicalScience!
#compchem#peptide@AliceCapecchi@jrjrjlr@reymondgroup @DCBunibern
https://t.co/LLTDLh1e3x
Code: https://t.co/ssC7YzbgB3
Checkout our latest @ScienceAdvances publication (https://t.co/wOsrTywNdE) and the thread by Philippe (@pschwllr), who just finished his PhD at @unibern!
How would you, for example, atom-map the following semipinacol rearrangement?
@DCBunibern #compchem#ChemTwitter
Are you fascinated by the potential of #AI in #drugdiscovery? Check out our open PhD positions @TUeindhoven:
- AI-assisted Medicinal Chemistry https://t.co/HqF7e0DweN
- AI for Chemical Biology https://t.co/8bPnfghi3L
Please RT! #MachineLearning#compchem
Check out our preprint on using machine learning to discover novel, non-hemolytic, antimicrobial peptides against P. aeruginosa, A. baumannii, and MRSA! #compchem#peptide@AliceCapecchi@jrjrjlr@reymondgroup @DCBunibern
https://t.co/f7llkB5qhn
Code: https://t.co/ssC7YzbgB3
Have a look at this interesting review on today's in-silico methods to obtain bioactive peptides and how to cope with peptides' vast chemical space:
https://t.co/0ZZfmUVpeB
Thanks to @AliceCapecchi, @jrjrjlr!
@DCBunibern, #Cheminformatics, #peptide, #drugdiscovery
Congratulations to Susanna for her recent article in @ChemCommun
"Transfecting tissue models with CRISPR/Cas9 plasmid DNA using peptide dendrimers"
paper: https://t.co/JZoJFZecQG
@DCBunibern
#RealTimeChem#CRISPR#ChemTwitter