ACS Central Science

Bayesian Optimization over Multiple Experimental Fidelities Accelerates Automated Discovery of Drug Molecules

针对多个实验保真度的贝叶斯优化加速了药物分子的自动发现

Discovery of Clonixeril as a Sub-Femtomolar Modulator of the Human STING Receptor.

Generative Landscapes and Dynamics to Design Functional Multidomain Artificial Transmembrane Transporters.

Unveiling the Structure of Anhydrous Sodium Valproate with 3D Electron Diffraction and a Facile Sample Preparation Workflow.

Revealing Anisotropic Growth of Liraglutide Oligomers by Native Ion Mobility Mass Spectrometry and Molecular Dynamics Simulation.

Asymmetric Three-Component Radical Cascade Reactions Enabled by Synergistic Photoredox/Brønsted Acid Catalysis: Access to α-Amino Acid Derivatives.

Bio-orthogonal Glycan Imaging of Cultured Cells and Whole Animal C. elegans with Expansion Microscopy.

利用膨胀显微镜对培养细胞和整个动物秀丽隐杆线虫进行生物正交聚糖成像

Investigation of Proteome-Tetrazine Reactivity for a Highly Selective Tetrazine Ligation in Live Cells.

研究蛋白质组-四嗪反应性以实现活细胞中高选择性四嗪连接

Unraveling Small Molecule-Mediated Sirtuin 3 Activation at a Distinct Binding Site for Cardioprotective Therapies.

揭示小分子介导的 Sirtuin 3 在特定结合位点的激活机制，用于心脏保护疗法

Discovery of Natural Resorcylic Acid Lactones as Novel Potent Copper Ionophores Covalently Targeting PRDX1 to Induce Cuproptosis for Triple-Negative Breast Cancer Therapy.

发现天然间苯二酚酸内酯作为新型强效铜离子载体，通过共价靶向 PRDX1 诱导铜凋亡，用于三阴性乳腺癌治疗