Laboratory of biomolecular modelling and design

@rokiahhassanul DM is back on tnx informing us.

We are looking to hire a postdoc (as early as januari 2025) to work on computational enzyme design, working in close collaboration with industry. For more information and applications Contact us via DM. #PostdocJobs #PhDJobs

We are looking for a biocatalyst/protein engineer to establish high-throughput assays for our AI-designed enzymes. Join our mission in an excellent location/resources and drop me a message anytime if you'd like to know more :)! tinyurl.com/5dhxphb6

Follow us at @kullbmd.bsky.social

Short summary thread of our recent review on de novo protein design: (Poster-sized figure (36 x 48 inches) for printing: drive.google.com/file/d/1sG3OlE…)

Prof @xinshi_d on his #ERCStG: "I'm very grateful that there are funding opportunities in the EU for curiosity-driven basic science. It’s a recognition of the importance to boldly try things that no one has before." @ERC_Research @kuleuven_fwet @KU_Leuven set.kuleuven.be/en/news/interv…

A well deserved Nobel prize for protein modelling. While alphafold has made structure prediction common accessible to every bio-related researcher around the globe, protein design is still emerging and the great applications are on the way thanks to the award winners.

We are very gratefull to the @FWOVlaanderen for awarding PhD fellowships to our researchers Ben Sanchez (development of novel cancer therapeutics) and Robin Poelmans (AI methods of drug and protein design) as well as Hanne Willems (Prostate cancer) together with @MolendoKUL.

Another molecular glue at #EFMCISMC24: Novartis #NLRP3 inhibitor DFV890 stabilizing an inactive conformation. Also another example for a non-standard sulfur(VI)-functional group in a drug candidate. No, not a sulfoximine… @EuroMedChem

I need to share Emma‘s inspirational final slide as well… Small Molecule Drug Discovery is making a difference for so many patients! #EFMCISMC24 @EuroMedChem

🚨 We have a fully funded PhD position available in the beautiful city of Leuven, Belgium, on building DNA-based artificial transmembrane nanomotors! Check out the details and apply here: kuleuven.be/personeel/jobs… Feel free to email or DM me for more information! Please RT 🙏

I just noticed the little warning underneath the results of an AF3 job. OK, so @GoogleDeepMind will never let us use their ligand binding diffusion model. But you can't even use their protein models for ligand docking. That's ridiculous.

protein layers as far as the #AFN eye can see (+5um) : Great work of one of our PhD students working on development of functional #biomaterials through computational protein design and #AFM. Stay tuned for more @kuleuven_fwet @KULeuvenChemie

Sometimes #AFM gives you this joy! micrometer wide Protein-based 2D layers made from a Computational Designer protein. Excited to see where this protein will lead us next! #BioAFM #AtomicForceMicroscopy #CPD #proteindesign #Nanobiotechnology @kullbmd @KU_Leuven #biochemistry

Happy to share my recently published paper. “Structural mechanism underlying variations in DNA binding by the androgen receptor”. Congratulations to all the co-authors ! Enjoy reading :) pubmed.ncbi.nlm.nih.gov/38604378/ @MolendoKUL @kullbmd

In our latest paper we engineered a nuclear receptor ligand specificity to create a new synbio tool. Congrats to all authors. Thanks for the great collaboration with @MolendoKUL @KevinVerstrepen lab doi.org/10.1002/pro.49… @kuleuven_fwet @KULeuvenChemie

New opportunity! The #SAMPL challenges will be continued and their scope extended to both predictions of physical properties and FAIR+R metadata for theoretical chemistry calculations. The first #euroSAMPL challenge will start on 2024-02-19. Find more at qmbench.net/eurosampl

Upcoming webinar by NVIDIA and OneAngstrom! (please share!) Pharmaceutical researchers are continually on the quest for better, faster ways to design drugs, but juggling independently designed software and data sources has created a long-standing challenge. NVIDIA and OneAngstrom are collaborating to reduce this fragmentation. Join the discussion and see how molecular design is made more accessible than ever before by accessing powerful, state-of-the-art generative AI services through the SAMSON molecular design platform. Date: Thursday, February 15, 2024 Time: 10:00 –11:00 a.m. PT Duration: 1 hour In this webinar you will learn: - How integrative molecular modeling results in streamlined, state-of-the-art workflows for scientists - To access NVIDIA BioNeMo™ in just a few clicks to predict protein structures and dock entire libraries of ligands - To combine BioNeMo with all other extensions available in SAMSON for modeling, simulation, analysis, visualization, scripting, and more Register at info.nvidia.com/transforming-m…

@DCUChemistry @DCU Hi all. I hope you can please #RT this? @janhjensen @pwk2013 @macinchem @baoilleach @mattschap @EstebanezLab @kullbmd @cressetgroup @CCG_MOE @OpenEyeSoftware @MgmsUpdates Thanks for passing this along.

Warm congratulations to PhD student Ahmed Shemy @kullbmd on winning the @IUCr Journals Poster Prize at the 10th @DiamondLightSou @ccp4_mx Data Collection and Structure Solution Workshop, shown receiving his certificate and prize from lecturer and @ActaCrystD Editor Elspeth Garman