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Current Computer-Aided Drug Design|February 4, 2024
Comprehensive In Silico Analysis of Uncaria Tomentosa Extract: Chemical Profiling, Antioxidant Assessment, and CLASP Protein Interaction for Drug Design in Neurodegenerative DiseasesSanjesh Kumar, Siva Prasad PandaCurrent Computer-Aided Drug Design|January 30, 2024
An In silico Study on B-cell Epitope Mapping of Acinetobacter baumannii Outer Membrane Protein KHana Heidarinia, Keyghobad Ghadiri, Fatemeh Nemati Zargaran, et al.Current Computer-Aided Drug Design|July 21, 2023
Amalgamated Pharmacoinformatics Study to Investigate the Mechanism of Xiao Jianzhong Tang against Chronic Atrophic GastritisXu Lian, Kaidi Fan, Xuemei Qin, et al.Current Computer-Aided Drug Design|October 16, 2023
Molecular Modelling of Resveratrol Derivatives with SIRT1 for the Stimulation of Deacetylase ActivityMozhdeh Zamani, Pooneh Mokarram, Mehdi Jamshidi, et al.Current Computer-Aided Drug Design|November 3, 2023
Computer-aided Design of Wide-spectrum Coronavirus Helicase NSP13 Cage Inhibitors: A Molecular Modelling ApproachVadim Shiryaev, Yuri KlimochkinCurrent Computer-Aided Drug Design|April 20, 2026
Computational Studies on the Structures, Properties, and Pharmacodynamic Characteristics of Nirmatrelvir, its Analogs, and Related Compounds in Synthetic PathwaysQiang Dai, Yanni Wang, Hong Li, et al.Current Computer-Aided Drug Design|June 1, 2026
Drug Repurposing Using Machine Learning and Deep Learning: A Systematic Literature ReviewNafiseh Bakhtiari, Ali Asghar Safaei, M J EbadiCurrent Computer-Aided Drug Design|May 15, 2026
Identification of Selective Mtb-DHFR Inhibitors as Antitubercular Agents: A Fragment Merging ApproachYash Kumar Gaur, Milendra Kumar Turkar, Aniket Nandi, et al.Current Computer-Aided Drug Design|November 5, 2011
Review of synthesis, biological assay and QSAR studies of β-secretase inhibitorsHelena Niño, Isela García-Pintos, José E Rodríguez-Borges, et al.Current Computer-Aided Drug Design|July 28, 2026
Network Pharmacology-guided Target Evaluation of Nefopam for Alzheimer's Disease: Insights from Docking and Molecular Dynamics SimulationsMayank Saini, Tanuj Hooda, Mohammad Ovais Dar, et al.Pageof 82