The research article A Potent and Selective Janus Kinase Inhibitor with a Chiral 3D‐Shaped Triquinazine Ring System from Chemical Space just got published in Angewandte Chemie! The Generated DataBases (GDBs) enumerate billions of possible molecules following simple rules of chemical stability
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The research article Transfer learning enables the molecular transformer to predict regio- and stereoselective reactions on carbohydrates was just published in Nature Communications. Organic synthesis methodology enables the synthesis of complex molecules and materials used in all fields of science and technology
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Our research on how Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation is now featured on the cover of RSC Medicinal Chemistry Solute carrier proteins (SLCs) control fluxes of ions and molecules across biological membranes and
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The research article: Transfecting tissue models with CRISPR/Cas9 plasmid DNA using peptide dendrimers just got published in RSC Chemical Communications. There is currently a lack of efficient reagents to transfect cells with large plasmid DNA, which would be enabling tools for
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The research article Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor was recently published in RSC Medicinal Chemistry. Transient receptor potential vanilloid 6 (TRPV6) is a calcium channel implicated in multifactorial diseases and overexpressed in numerous cancers. We recently
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The research article One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome was recently published in the Journal of Cheminformatics. Background: Molecular fingerprints are essential cheminformatics tools for virtual screening and mapping chemical space. Among the different types of
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The research article Fluorescent Peptide Dendrimers for siRNA Transfection: Tracking pH Responsive Aggregation, siRNA Binding, and Cell Penetration was recently published in Bioconjugate Chemistry. Transfecting nucleic acids into various cells is a key procedure in biological research also envisioned for therapeutic applications.
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The research article Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation has just been published in RSC Medicinal Chemistry. Solute carrier proteins (SLCs) control fluxes of ions and molecules across biological membranes and represent an emerging
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The research article SMILES-based deep generative scaffold decorator for de-novo drug design has just been published by the Journal of Cheminformatics. This work results from a cooperation between AstraZeneca and the Reymond group. Molecular generative models trained with small sets of molecules
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