#smallmolecules — Public Fediverse posts
Live and recent posts from across the Fediverse tagged #smallmolecules, aggregated by home.social.
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The first AI-designed drug just entered Phase III.
Rentosertib — target identified by AI, molecule generated by AI, clinical trial designed and executed by humans.
That last part matters more than most of the AI-in-pharma coverage acknowledges.
We wrote about what it actually changes — and what it doesn't:
#DrugDiscovery #AI #ClinicalTrials #SmallMolecules #Pharma
https://genelifecr.blogspot.com/2026/08/the-first-ai-designed-drug-just-entered.html -
Another thought-provoking #MedChem #SciComm story by Stan Van Boeckel.
On the example of Sitagliptin, he explains the power of minimizing molecules and looking for the highest ligand efficiency in #DrugDiscovery.
#Chemistry #ChemBio #StoryTelling #SmallMolecules #LigandEfficiency #Science #Medicines
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Haven't found a solution to the problem yet. You'd expect something so simple shouldn't be that difficult to find.
Is there a way for me to manually rotate these molecules and align them?
I can align them in PyMol, but the alignment is not done how I want it done.
When I open both, select A, rotate A into the desired position, then select B, and rotate B, A has changed orientation.
Anybody any suggestions for manual alignment of small molecules?
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Is there a way for me to manually rotate these molecules and align them?
I can align them in PyMol, but the alignment is not done how I want it done.
When I open both, select A, rotate A into the desired position, then select B, and rotate B, A has changed orientation.
Anybody any suggestions for manual alignment of small molecules?
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🎨 🧬 Take a look at the extraordinary watercolor paintings in the Molecular Landscapes Gallery by David S. Goodsell.
The watercolor paintings of David S. Goodsell integrate information from #StructuralBiology, #Microscopy and #Biophysics to simulate detailed views of the molecular structure of living cells. #Proteins, #NucleicAcids, and #LipidMembranes are shown; #SmallMolecules, ions, and water are omitted for clarity.
https://pdb101.rcsb.org/sci-art/goodsell-gallery/
Free for use under CC-BY-4.0 license.