Artificial intelligence for natural product drug discovery bit.ly/488vLOB A review by a team including Marnix Medema Serina Robinson #rogerlinington Gerard JP van Westen Hirsch Lab covering synergies between omics-based natural product discovery and computational drug design

Postdoc vacancy combining synthesis and computational methods. Apply until Nov 15th.

We have started with another designathon of the VHP4Safety ! @egonwillighagen showing progress of research line 1..

Interesting Code & Coffee meeting of our #MachineLearning Lab today with Gerard JP van Westen on #AI in #DrugDiscovery. Thank you for joining us! 🚀👨‍🔬

The latest by CDD Leiden by Marina Gorostiola González …. “Molecular insights into disease-associated glutamate transporter (EAAT1 / SLC1A3) variants using in silico and in vitro approaches” frontiersin.org/articles/10.33…

Come join our group in Leiden! We have GPUs and git…

The latest preprint from CDD: "AlphaFold meets de novo drug design: leveraging structural protein information in multi-target molecular generative models" code: github.com/CDDLeiden/PCMol data: zenodo.org/records/106712… chemrxiv.org/engage/chemrxi…

The latest preprint from CDD: QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool Comes with tutorials en more, code: github.com/CDDLeiden/QSPR… chemrxiv.org/engage/chemrxi…

Another fresh preprint: "Generate What You Can Make: Achieving in-house synthesizability with readily available resources in de novo drug design" ...with chemical and biological follow up... Data and code online as always: github.com/AlanHassen/led… chemrxiv.org/engage/chemrxi…

Vacancy for a PhD in our lab in a project with the RIVM werkenvoornederland.nl/vacatures/phd-…

A vacancy for a PhD student in the lab. Join us and be part of Oncode Accelerator. Collaborate with Radboud University @[email protected] using artificial intelligence to understand small molecules mode of action with experimental validation. (oncodeaccelerator.nl) universiteitleiden.nl/vacatures/2024…

Today Dr. Brandon Bongers defended his PhD thesis entitled: "The flux and flow of data" (containing several oublished chapters including : jcheminf.biomedcentral.com/articles/10.11… ) Congratulations Brandon and thanks to the committee! CC LACDR LeidenScience ENG

Great turnout at the workshop on Free Energy Methods in Drug Design. Looking forward to a great conference. Thanks for the great organization! CC Willem Jespers 🦔 Gerard JP van Westen #alchemy24

Great setting at the #BeilstrinBozen2024 Symposium with many exciting talks, engaged discussions and more perspectives on AI in Chemistry and Biology: Evolution or Revolution? Antonella Di Pizio Noelia Ferruz Beth Plale Guillermo Restrepo Computational Drug Discovery Leiden Christoph Steinbeck Giovanni Cuniberti

The latest by CDD Leiden in collab with ChEMBL Database : "Excuse me, there is a mutant in my bioactivity soup!" A paper wherein genetic variation / mutations in targets are identified and effects are explored. Data available! CC Olivier BQGN Marina Gorostiola González chemrxiv.org/engage/chemrxi…

The latest bij CDD Leiden: A patient-centric knowledge graph approach to prioritize mutants for selective anti-cancer targeting. Great work by Marina Gorostiola González Preprint : lnkd.in/eU92WEJF Data lives here: zenodo.org/records/112367…

We are looking forward to having Andrew Leach for a Leiden Early Drug Discovery & Development (LED3) Lecture on Thursday, October 24th, at 4:00 p.m. He will give us insights into his efforts to "Democratize Drug Discovery with Open Data". If you are interested, make sure to come by! universiteitleiden.nl/en/science/led…

The latest by CDD Leiden: AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative Models Usage alphafold embeddings for cross-attention directing SMILES based molecular generators. Open acces: pubs.acs.org/doi/10.1021/ac…