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Current Computer-Aided Drug Design|February 28, 2023
Computer Simulation for Effective Pharmaceutical Kinetics and Dynamics: A ReviewGaurav Tiwari, Anuja Shukla, Anju Singh, et al.Current Computer-Aided Drug Design|November 1, 2024
Synthesis, Biological Evaluation, Molecular Docking Studies and ADMET Prediction of Oxindole-based Hybrids for the Treatment of TuberculosisVaishali Pavalbhai Patel, Rati Kailash Prasad Tripathi, Snigdha Das MandalCurrent Computer-Aided Drug Design|October 18, 2024
Berberine Ameliorates High-fat-induced Insulin Resistance in HepG2 Cells by Modulating PPARs Signaling PathwayLingxiao Zhang, Chenghao Yang, Xinyue Ding, et al.Current Computer-Aided Drug Design|October 16, 2024
Discovery of Novel PTP1B Inhibitors by High-throughput Virtual ScreeningAbhijit Debnath, Anjna Rani, Rupa Mazumder, et al.Current Computer-Aided Drug Design|October 8, 2024
Decoding the Knacks of Ellagitannin Lead Compounds to Treat Nonalcoholic Fatty Liver Disease using Computer-aided Drug DesigningHina Shahid, Muhammad Ibrahim, Wadi B Alonazi, et al.Current Computer-Aided Drug Design|July 12, 2024
miR-584-5p is a New Potential Prognostic Biomarker in Head and Neck Squamous Cell CarcinomaDonghong Yang, Guanbin Huang, Haiwen Li, et al.Current Computer-Aided Drug Design|July 11, 2024
Identification of Potent SFRP1 Inhibitors for Colorectal Cancer using a Comprehensive Computational ApproachMuralidharan Jothimani, Sivakumar Vijayaraghavalu, Karthik Sadasivam, et al.Current Computer-Aided Drug Design|August 12, 2024
3D-QSAR, Pharmacophore Modeling, ADMET and DFT Studies of Halogenated Conjugated Dienones as Potent MAO-B InhibitorsGitha Elizabeth Mathew, Chonny Herrera-Acevedo, Marcus Tullius Scotti, et al.Current Computer-Aided Drug Design|September 4, 2024
Mechanisms Underlying the Protective Effects of Obeticholic Acid-Activated FXR in Valproic Acid-Induced Hepatotoxicity via Network Pharmacology, Molecular Docking, and Molecular Dynamics SimulationsYa'nan Chen, Jingkai Zhou, Shansen Xu, et al.Current Computer-Aided Drug Design|June 7, 2024
Potential Mechanism by which Eriodictyol Protects against Doxorubicininduced Cardiotoxicity based on Network Pharmacology, Molecular Docking, and Molecular Dynamics SimulationChunmeng Qin, Mei Sun, Feng Lv, et al.Pageof 82