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Current Computer-Aided Drug Design|May 26, 2023
Potential Aromatase Inhibitors from Centella asiatica with Non-synonymous SNPS - A Computational ApproachSheshadri S Temkar, Amruta Sridhara, Dhrithi Jayasimha Mallur, et al.Current Computer-Aided Drug Design|May 26, 2023
Network Pharmacology Combined with GEO Analysis of the Mechanism of Qing-Jin-Hua-Tan Decoction in the Treatment of Non-small Cell Lung CancerYi Wei, Chao LiuCurrent Computer-Aided Drug Design|April 3, 2026
Baihe Dihuang-Danshen Decoction in Myocardial Ischemia-reperfusion Injury: Network Pharmacology and Experimental ValidationLing Huang, Lei Zhang, Qiang Xu, et al.Current Computer-Aided Drug Design|May 5, 2026
Mechanisms Underlying the Therapeutic Effects of GeXiaZhuYu Decoction Treating Colorectal Cancer based on Network Pharmacology, Molecular Docking, and Molecular Dynamics SimulationsJiawen Li, Ziyu Xiao, Li Wang, et al.Current Computer-Aided Drug Design|May 8, 2026
From IPI-549 to Novel Compounds: A Novel Strategy Integrating 3D-QSAR, Scaffold Growth, Molecular Docking, and Molecular Dynamics Simulation in PI3Kγ Inhibitor DesignJingyu Zhu, Xiaolian Yu, Lei Jia, et al.Current Computer-Aided Drug Design|April 20, 2026
Comparative Structural and Functional Analysis of Plasmodium Type II Nicotinamide Adenine Dinucleotide: Quinone Oxidoreductase and its Human Homologue, Apoptosis-Inducing Factor, Mitochondrion-associated 1 (AIF-M1)Bertha Cinthia Baye, Vuyani Moses, Samuel Chima Ugbaja, et al.Current Computer-Aided Drug Design|May 15, 2026
Integrating Multi-omics, Mendelian Randomization, and Experimental Validation to Unveil the Role of Traditional Chinese Medicine in Postmenopausal OsteoporosisHefang Xiao, Yaobin Wang, Yi Chen, et al.Current Computer-Aided Drug Design|May 19, 2026
A Hybrid FT-TRF Approach for Diabetes-related Compound IdentificationJianlong Yao, Bin Yang, Chuandong SongCurrent Computer-Aided Drug Design|January 1, 2015
Development of a two-step indirect method for modeling Ecom50Lowell H Hall, L Mark Hall, Dennis W Hill, et al.Current Computer-Aided Drug Design|May 6, 2011
Comparison of QSARs and characterization of structural basis of bioactivity using partial order theory and formal concept analysis: a case study with mutagenicityGuillermo Restrepo, Subhash C Basak, Denise MillsPageof 82