過渡金屬錯... 合物催化碳氫鍵氧化之活性比較 (Comparison of the Activity of Transition Metal Complexes in Catalytic C–H Bond Oxidation)more

過渡金屬錯合物催化碳氫鍵氧化之活性比較 (Comparison of the Activity of Transition Metal Complexes in Catalytic C–H Bond Oxidation)

基於階層式... 圖循環神經網路的多尺度連續氧化還原電位預測 (Multiscale Sequential Redox Potential Prediction with a Hierarchical Graph Recurrent Neural Network)more

基於階層式圖循環神經網路的多尺度連續氧化還原電位預測 (Multiscale Sequential Redox Potential Prediction with a Hierarchical Graph Recurrent Neural Network)

GMI與中... 藥小分子抑制受體激酶膜外或膜內區域之分子動力學研究 (Molecular Dynamics Study of Inhibition on Extracellular and Intracellular Domains of Receptor Kinase by GMI and Herbal Compounds)more

GMI與中藥小分子抑制受體激酶膜外或膜內區域之分子動力學研究 (Molecular Dynamics Study of Inhibition on Extracellular and Intracellular Domains of Receptor Kinase by GMI and Herbal Compounds)

利用密度泛... 函理論探討光催化脫羧[4+2]/[2+2]環加成、金(I)催化雙環化反應與生物偶聯中的選擇性問題 (Theoretical Investigations of Photocatalytic Decarboxylative [4+2]/[2+2] Cycloaddition, Gold(I)-Catalyzed Bicyclic Cyclization, and Bioconjugation Selectivity via Density Functional Theory)more

利用密度泛函理論探討光催化脫羧[4+2]/[2+2]環加成、金(I)催化雙環化反應與生物偶聯中的選擇性問題 (Theoretical Investigations of Photocatalytic Decarboxylative [4+2]/[2+2] Cycloaddition, Gold(I)-Catalyzed Bicyclic Cyclization, and Bioconjugation Selectivity via Density Functional Theory)

探討岩藻糖... 轉化酶的催化反應：分子動力學與定點突變模擬分析 (Exploring the Reaction of Fucosyltransferases: Insights from Molecular Dynamics and In-silico Mutagenesis)more

探討岩藻糖轉化酶的催化反應：分子動力學與定點突變模擬分析 (Exploring the Reaction of Fucosyltransferases: Insights from Molecular Dynamics and In-silico Mutagenesis)

利用半監督... 變分自編碼器用於配體優化及過渡金屬錯合物設計的轉移學習 (Semi-Supervised Variational Autoencoders for Ligand Optimization and Transfer Learning for Transition Metal Complexes Design)more

利用半監督變分自編碼器用於配體優化及過渡金屬錯合物設計的轉移學習 (Semi-Supervised Variational Autoencoders for Ligand Optimization and Transfer Learning for Transition Metal Complexes Design)