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Current Computer-Aided Drug Design|October 4, 2018
Image-based QSAR Model for the Prediction of P-gp Inhibitory Activity of Epigallocatechin and Gallocatechin DerivativesParia Ghaemian, Ali ShayanfarCurrent Computer-Aided Drug Design|May 1, 2022
Identification of Pim-1 Kinase Inhibitors by Pharmacophore Model, Molecular Docking-based Virtual Screening, and Biological EvaluationJing Huang, Ye Yuan, Xiaoxiao Zhu, et al.Current Computer-Aided Drug Design|July 30, 2025
Decoding the Molecular Mechanism of Bioactive Compounds Derived from Microalgae via Transcriptomics Data and Integrative Bioinformatics AnalysisHina Shahid, Muhammad Ibrahim, Wadi B Alonazi, et al.Current Computer-Aided Drug Design|September 8, 2025
Wound Healing Properties of Nymphaea alba (Nymphaeaceae) Flower Extract: Evidence from In Vivo, In Vitro, and In Silico Network AnalysisDeepika Pathak, Avijit MazumderCurrent Computer-Aided Drug Design|February 13, 2024
Uncovering the Mechanisms of Cinnamic Acid Treating Diabetic Nephropathy Based on Network Pharmacology, Molecular Docking, and Experimental ValidationLimiao Dai, Yang He, Siqiang Zheng, et al.Current Computer-Aided Drug Design|March 20, 2024
Identification of Potential Inhibitors of Three NDM Variants of Klebsiella Species from Natural Compounds: A Molecular Docking, Molecular Dynamics Simulation and MM-PBSA StudyNakul Neog, Minakshi Puzari, Pankaj ChetiaCurrent Computer-Aided Drug Design|February 7, 2024
Exploration of Fingerprints and Data Mining-based Prediction of Some Bioactive Compounds from Allium sativum as Histone Deacetylase 9 (HDAC9) InhibitorsTotan Das, Arijit Bhattacharya, Tarun Jha, et al.Current Computer-Aided Drug Design|February 7, 2024
Exploring the Molecular Mechanism by which Kaempferol Attenuates Sepsis-related Acute Respiratory Distress Syndrome Based on Network Pharmacology and Experimental VerificationWeichao Ding, Changbao Huang, Juan Chen, et al.Current Computer-Aided Drug Design|January 17, 2024
Computational Study of Antimicrobial Peptides for Promising Therapeutic Applications Against Methicillin-resistant Staphylococcus AureusPriyanka Sinoliya, Pooran Singh Solanki, Ravi Ranjan Kumar Niraj, et al.Current Computer-Aided Drug Design|October 11, 2024
Exploring the Potential Mechanisms of Danshen for the Treatment of Ulcerative Colitis based on Serum Pharmacochemistry, Gene Expression Profiling, and Network Pharmacology: Regulation of Cell Apoptosis and Inflammatory ResponseRun-Xiang Zhai, Meng-Yu Wang, Hai-Tao Du, et al.Pageof 82