Andreas Bender

andreasbender.bsky.social

Cheminformatics, bioinformatics, drug discovery, computational life sciences etc - for more information please see https://andreasbender.de Proud editor of the 'Cambridge Cheminformatics Newsletter' - please see https://www.drugdiscovery.net

Joined November 2024

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Andreas Bender andreasbender.bsky.social · Aug 19, 2025
*** Cambridge Cheminformatics Meeting *** 3 Sep 2025, Hybrid Mode! Free/open to all - join us and circulate further! Registration via c-inf.net Generously hosted again by the @ccdc.cam.ac.uk and live on Zoom Please join, circulate & hope to see you there! Andreas @macinchem.bsky.social

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Reposted by Andreas Bender
Chris de Graaf handle.invalid · Jul 2, 2025
Closing the loop on #GenAI for #GPCR #SBDD www.nature.com/articles/s41... tinyurl.com/yeyhfr7j
Identification of nanomolar adenosine A2A receptor ligands using reinforcement learning and structure-based drug design - Nature Communications

Here the authors combine a deep generative model with structure-based drug design and prospectively validate functionally active, nanomolar, A2A adenosine receptor ligands and solve their crystal stru...

nature.com

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Andreas Bender

Identification of nanomolar adenosine A2A receptor ligands using reinforcement learning and structure-based drug design - Nature Communications