#supramolecular-receptors
#supramolecular-receptors
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fromNature
2 weeks agoMix-and-match synthesis of 3D small molecules
Small organic molecules underpin modern life, from medicines and flavours to advanced materials. Much of this functional diversity comes from shape: modest changes in a molecule's 3D structure can completely change its properties.
Medicine
Science
fromNature
1 month agoThe dynamic basis of G-protein recognition and activation by a GPCR - Nature
NTSR1 receptor dynamically accommodates different G-protein subtypes through intracellular rearrangements, with GDP/GTP binding triggering G-protein dissociation through stepwise remodeling of switch regions.
fromNature
2 months agoThis AI has chemical expertise - and helps synthesize 35 new drugs and materials
Now, researchers have created an artificial-intelligence system that vastly simplifies and accelerates the process of chemical synthesis. The system, which is called MOSAIC and is described in a study published in Nature on 19 January, recommended conditions that researchers were able to use to generate 35 compounds with the potential to become products like pharmaceuticals, agrochemicals or cosmetics without needing to do any further trawling or tweaking.
Artificial intelligence
fromwww.nature.com
2 months agoCollective intelligence for AI-assisted chemical synthesis
The exponential growth of scientific literature presents an increasingly acute challenge across disciplines. Hundreds of thousands of new chemical reactions are reported annually, yet translating them into actionable experiments becomes an obstacle1,2. Recent applications of large language models (LLMs) have shown promise3,4,5,6, but systems that reliably work for diverse transformations across de novo compounds have remained elusive. Here we introduce MOSAIC (Multiple Optimized Specialists for AI-assisted Chemical Prediction), a computational framework that enables chemists to harness the collective knowledge of millions of reaction protocols.
Science
fromSilicon Canals
1 month agoNuclera and leadXpro Partner to Accelerate Structure-Based Drug Design for Complex Membrane Proteins - Silicon Canals
An AI-guided end-to-end workflow combining Nuclera's eProtein Discovery and leadXpro's AI/ML will accelerate and de-risk structural and biophysical access to challenging membrane protein targets.
fromNature
2 months agoNanoscience is latest discipline to embrace large-scale replication efforts
Calling nanoscientists: your field needs you to try to replicate a landmark finding that quantum dots can act as biosensors inside living cells. As part of the first large-scale effort in the physical sciences to tackle the reproducibility crisis, researchers in France and the Netherlands are offering funds and resources in exchange for a few months of work. "We are trying to use
Science
Science
fromNature
2 months agoTransferable enantioselectivity models from sparse data - Nature
A descriptor-generation strategy predicts and optimizes enantioselectivity across diverse catalysts and substrates using transition-state and intermediate features for asymmetric nickel-catalyzed C(sp3) couplings.
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