Andreas Luttens

[Melis Anahtar @melisanahtar]

Excited to share our work in @CellCellPress on using generative AI to design entirely new antibacterial molecules that kill Neisseria gonorrhoeae and Staph aureus! https://t.co/wnJkDWEVtn

@MGHPath @mgh_id @broadinstitute @MIT #AMR

[Andreas Luttens @luttens]

In our latest paper we share our machine learning protocol to screen billions of compounds for novel ligands with tailored properties. @scilifelab, @UU_University, @UniversidadeUSC, @KAWstiftelsen https://t.co/KVmD0zA8nm

[Nature Computational Science @NatComputSci]

📢@luttens, @CarlssonLab and colleagues develop an efficient method to screen libraries containing billions of compounds. @UU_University, @scilifelab, @Cancerfonden, @Vetenskapsradet, @KAWstiftelsen, @ERC_Research, @EnamineLtd, @broadinstitute, @MIT_IMES https://t.co/zFHWxH0I7S

[Andreas Luttens @luttens]

Very excited to share our latest paper on DNA repair in @NatureComms ! A large-scale fragment docking screen paved the way to potent OGG1 inhibitors with anti-inflammatory effects in cells. https://t.co/dTibuVRNbF Special thanks to @EnamineLtd @karolinskainst @UU_University

[SciLifeLab @scilifelab]

SciLifeLab & Wallenberg’s National Program for Data-Driven Life Science (DDLS), receives continued funding from Knut och Alice Wallenbergs Stiftelse (@KAWstiftelsen) for an additional two years, with 740 million SEK!

https://t.co/0b0VPKjrPo

[CarlssonLab @CarlssonLab]

Happy to welcome Seva Katritch (@sevakat1) to Uppsala University, the opponent at Andreas Luttens (@luttens) defense tomorrow!

[Jon Stokes @ItsJonStokes]

An interdisciplinary team of remarkable scientists (and great friends) put together a study leveraging AI to find new antibacterial molecules against Acinetobacter baumannii. I think we are well into an era of AI-augmented drug discovery...WOOO!!!

https://t.co/Igp8bRRAv0

[Andreas Luttens @luttens]

@rflameiro @predict_addict We actually did this analysis and will update our pre-print soon! In incremental steps of 1% of the test set, we checked what fraction of compounds had a Tanimoto coefficient higher than ... the EFCP4-based method prioritizes mostly familiar compounds, but some are clearly novel!

[Horacio Pérez Sánchez @horacio_ps]

🔬 Unveiling a blend of #MachineLearning & docking for ultra-fast virtual screening of billion-scale databases. 🚀 CatBoost leads, empowering efficient drug discovery. 💊 Stay tuned for more! 🧵👇 #DrugDiscovery #AI

[CarlssonLab @CarlssonLab]

Want to perform virtual screens of libraries containing billions of compounds? We have developed an approach that combines molecular docking and machine learning to screen vast chemical space. Preprint: https://t.co/ZQOtPkUId6
Workflow will be made publicly available on GitHub.

[Andreas Luttens @luttens]

Thank you for your continuous support! @UU_University @scilifelab @EnamineLtd @CarlssonLab

[Andreas Luttens @luttens]

Paper alert! We developed a machine learning-based strategy for rapid virtual screening of databases containing billions of compounds. (https://t.co/WOxzFC391m) #machinelearning #drugdiscovery (1/5)

[Andreas Luttens @luttens]

We also share our datasets, containing the docking scores of several hundred million molecules against 8 different targets (https://t.co/YqVUPxeSiw) Please benchmark your own methods! (5/5)

[Seva Katritch @sevakat1]

Our review on computational approaches in drug discovery is finally online:
https://t.co/DfFlgCmCTj
We tried to keep balance between physics- and data-driven sides. Huge thanks to @ASadybekov & 🇺🇦 friends @EnamineLtd and @Chem_space for enabling many breakthroughs in this field!

[CarlssonLab @CarlssonLab]

Predicting if a GPCR ligand is an agonist or antagonist is difficult... even if receptor structures are available! In our new Angewandte Chemie paper, use MD simulations to predict drug efficacy:
https://t.co/WaGI1xN60w
@UU_University @scilifelab @KAWstiftelsen @DelemotteLab

[Andreas Luttens @luttens]

Super excited to be able to share our work on ultra-large virtual screening to discover antivirals and DNA repair inhibitors at Medicinal Chemistry Frontiers in Boston! @AcsMedi @EuroMedChem

Thanks for the continuous support! @scilifelab @UU_University @YoungSciNet

[EFMC Young Scientists Network @YoungSciNet]

🏆 Awardees of the YSN-YMCC Grant announced! 🏆

Andreas Luttens (@luttens) and Aleša Bricelj (@AlesaBricelj) will fly to Boston to present their research at the ACSMEDI-EFMC Medicinal Chemistry Frontiers 2023.

Congratulations to both!
@EuroMedChem @AcsMedi

[Société de Chimie Thérapeutique @SCT_asso]

“Short coverage upon the SCT Evotec Pasteur Symposium dedicated to "Excellence in Molecular Design".
Evotec Prize was awarded in person to Andreas Luttens, who gave a very insightful talk, along with brillant contributions from other speakers.
Thank you all for participating!!!