New preprint from our LED3 hub, now on ChemRxiv!

The labs of Sebastian Pomplun, Gerard van Westen and Laura Heitman at the Leiden Academic Centre for Drug Research with first author Sean M. McKenna present COMBINAUT: an automated parallel synthesis platform enabling rapid access to a 22.9M-member synthetically accessible chemical space for fast validation of virtual screening hits.

https://chemrxiv.org/doi/full/10.26434/chemrxiv.15000200/v1

#DrugDiscovery #Automation #VirtualScreening #MedicinalChemistry #HitDiscovery

🚀 What if we could precisely target the CAPON–nNOS axis — a pathway long considered undruggable?

🔗 Targeting CAPON to modulate the CAPON–NOS Axis: a computational approach. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2025.11.001

📚 CSBJ: https://www.csbj.org/

#DrugDiscovery #ComputationalBiology #AlzheimersResearch #Neuroscience #ProteinProteinInteractions #VirtualScreening #MolecularDynamics #AIinDrugDiscovery

#BOINC Central is an open platform for scientists.
I’ve decided to start creating tutorials and publishing them on #Medium.
The first tutorial, covering #Autodock, #Vina, and #Vinardo, is available: https://medium.com/@lestat.de.lionkur/molecular-docking-with-autodock4-vina-and-vinardo-on-boinc-central-7117645d0551

#DrugDiscovery #VirtualScreening #HPC #MolecularDocking

Are you an academic researcher running #MolecularDocking?

Leverage #BOINC Central to access free, large-scale distributed computing for your #AutoDock #Vina jobs.
Our guide walks you through setup to submission:
https://github.com/BOINC/boinc-autodock-vina/wiki

#Autodock:
https://youtu.be/NJ8sxnipMUs

#Vina:
https://youtu.be/ypBh-Sw_jTg

#Vinardo:
https://youtu.be/dGiZbEje-Ok

#Vina and #Raccoon2:
https://youtu.be/g7jago5-TvU

#DrugDiscovery #VirtualScreening #HPC

📝Call for Papers: Special issue on "In silico exploration of ultra-large chemical libraries"

🔗For more information about the topics and submission guidelines, visit: https://www.csbj.org/call_chemlib

#cheminformatics #virtualscreening #drugdiscovery

FLORIDA VIRTUAL SCREENING - MY SPY: THE ETERNAL CITY
Register now for access to the at home screening on Monday, July 15, 6:00 PM Eastern Time.
You must register before the screening time. Links will be sent at 5:00 PM July 15. The screening window will open at 6:00 PM, and you may watch the movie ONCE within the 36-hour viewing window.
#MySpy #MySpyTheEternalCity #PrimeVideo #AmazonMGMStudios #AdvanceScreening #Movies #Film #Cinema #Free #VirtualScreening

https://hotchka.com/my-spy-the-eternal-city-miami-virtual-screening

⚡FLASH OFFER⚡
VIRTUAL SCREENING PASSES - SPACE CADET
Register now for access to the at home screening on Thursday, June 27, 6:00 PM Eastern Time.
You must register before the screening time. Links will be sent at 5:00 PM June 27. The screening window will open at 6:00 PM ET / 3:00 PM PT - you may watch the movie ONCE within the 36-hour viewing window.
#SpaceCadet #PrimeVideo #AmazonMGMStudios #AdvanceScreening #Movies #Film #Cinema #Free #VirtualScreening

https://amazonscreenings.com/SPACECADEThotchkachicago

PRIME VIDEO'S "ROLE PLAY" VIRTUAL SCREENING

WEDNESDAY, JANUARY 10

7:30 PM Central Time: https://amazonscreenings.com/RPchicago

7:30 PM Pacific Time: https://amazonscreenings.com/RPhotchka

Quantities are limited!
#RolePlay #PrimeVideo #AdvanceScreening #Free #VirtualScreening

AI in drug development – ​​machine learning is now revolutionizing pharmaceuticals – 1.56 billion molecules in record time

#MachineLearning #DrugDevelopment #VirtualScreening #HASTEN #TimeSaving #InterdisciplinaryCollaboration #Innovation

https://kinews24.de/ki-in-der-medikamenten-entwicklung/