Architectural design
Recently Published Articles
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Evaluation of deep learning architectures for predicting ligand interactions with neurologically relevant GPCRs
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Novel seleno-ureido hybrids targeting head and neck cancer and beyond: design, synthesis, and apoptosis-mediated anticancer evaluation
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Synthesis, Characterization, and Biological Evaluation of Co(II), Cu(II), and Ni(II) Complexes With 2,2'-Bipyridine-5,5'-Dicarboxamide Ligands: Antibacterial and Enzyme Inhibition Studies
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Generalizable structure-function covariation predictive of antidepressant response revealed by target-oriented multimodal fusion
Xiaoyu Tong, Kanhao Zhao, Gregory A Fonzo, Hua Xie, Nancy B Carlisle, Corey J Keller, Desmond J Oathes, Yvette Sheline, Charles B Nemeroff, Madhukar Trivedi, Amit Etkin, Yu Zhang
Can Large Language Models Translate MS/MS into Molecular Caption?
Menglin Zhou, Chenhao Gong, Shan Cong, Qiong Yang, Siyu Jiang, Jing Tian, Changgen Xie, Sihao Chang, Hongchao Ji
Integrated docking-molecular dynamics, ADME-toxicity profiling, and transcriptomic validation identify oroxylin a as a TLR7-targeting flavonoid candidate in systemic lupus erythematosus
Nourah Albarrak, Hanadi Albjeedi, Ebtihal Kamal, Mohammed F Aldawsari, Hisham N Altayb, Ehssan Moglad