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Current Computer-Aided Drug Design|August 28, 2025
Through Network Pharmacology Combined with Artificial Intelligence Techniques, Potential Targets of Banxia Xiexin Decoction for the Treatment of Functional Dyspepsia were Identified and ValidatedLang Ren, Yiyao Cheng, Hanlin Dong, et al.Current Computer-Aided Drug Design|July 1, 2020
Comparative COX I Molecular Docking of Phyto-chemicals (Flavonoids, Alkaloids, Lignans and Terpenoids) for Anti-platelet Aggregation DynamicsAcharya Balkrishna, Subarna Pokhrel, Anurag VarshneyCurrent Computer-Aided Drug Design|April 20, 2023
Esters of Quinoxaline-7-Carboxylate 1,4-di-N-Oxide as Potential Inhibitors of Glycolytic Enzymes of Entamoeba histolytica: In silico ApproachJacqueline Soto-Sánchez, Salvador Pérez-Mora, Juan David Ospina-Villa, et al.Current Computer-Aided Drug Design|April 20, 2023
Investigation on the Anticancer Activity of [6]-Gingerol of Zingiber officinale and its Structural Analogs against Skin CancerMonisha Adikesavan, Praveena Athiraja, Monisha Baby Babu DivakarCurrent Computer-Aided Drug Design|January 16, 2026
Predicting the Mechanism of Action of Bawei Chufan Soup in Treating Teen Depression through Network Pharmacology, Molecular Docking and Molecular Dynamics SimulationChengcheng Song, Wenzong Zhu, Huang HuangCurrent Computer-Aided Drug Design|January 16, 2026
Drug-target Affinity Prediction Based on Graph Transformer and Selfattention Mechanism Kinase-specific Drug-target Affinity Prediction with Graph Transformer and Self-Attention FusionShiqian Han, Jiahao Shi, Jun WangCurrent Computer-Aided Drug Design|January 16, 2026
Unraveling Multi-target Mechanisms of Codonopsis pilosula in Breast Cancer: A Synergistic Approach Combining Network Pharmacology, Molecular Docking, and Machine Learning TechniquesHaodong Guo, Yuting Yang, Jiajun Li, et al.Current Computer-Aided Drug Design|January 16, 2026
Unveiling Active Natural Products for the Therapy of Inflammatory Bowel Disease through Single-cell, Transcriptome, and Reverse Network PharmacologyJianping Hu, Jiaxin Zhou, Na Tian, et al.Current Computer-Aided Drug Design|January 23, 2026
Study Integrating GWAS and pQTL Data Identifies Potential Therapeutic Targets for HypertensionYiduo Wang, Huan QuCurrent Computer-Aided Drug Design|January 23, 2026
Exploring the Mechanism of Qigesan in Treating Esophageal Carcinoma Based on Network Pharmacology, Molecular Docking, and Molecular Dynamics SimulationShun Zhang, Haolan You, Shixin Ye, et al.Pageof 82