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Current Computer-Aided Drug Design|May 31, 2024
Targeted Therapy of Tumors and Cancer Stem Cells based on Oxidant-regulated Redox Pathway and its MechanismShunshun Wang, Juanjuan Han, Zijun Wang, et al.Current Computer-Aided Drug Design|May 20, 2024
Flavonoids and Organic Acids Affect Phase II Metabolism based on the Regulation of UGT1A1 Expression and FunctionLin Zhang, Xuerong Zhang, Caiyan WangCurrent Computer-Aided Drug Design|November 24, 2025
A Pharmacoinformatics and Molecular Dynamics Approach to the Phytochemical Screening of Ficus hispida Fruits for Prostate Cancer TherapyHasanur Rahman, Ataur Rahman, Sarwar Zahan, et al.Current Computer-Aided Drug Design|April 27, 2024
Designing a Novel di-epitope Diphtheria Vaccine: A Rational Structural Immunoinformatics ApproachMahsa Shadmani, Atefeh Ghasemnejad, Samira Bazmara, et al.Current Computer-Aided Drug Design|April 30, 2024
Study on the Mechanism of Competing Endogenous Network of 'Scutellaria barbata D.Don-Houttuynia cordata- Radix Scutellariae' in the Treatment of NSCLC based on Bioinformatics, Molecular Dynamics and Experimental VerificationLulu Wu, Bo Xu, Yu Qi, et al.Current Computer-Aided Drug Design|April 30, 2024
An Enhanced Computational Approach Using Multi-kernel Positive Unlabeled Learning for Predicting Drug-target InteractionsMohammad Reza Keyvanpour, Soheila Mehrmolaei, Faraneh HaddadiCurrent Computer-Aided Drug Design|April 17, 2024
Comprehensive Analysis and Experimental Validation of FOXD2 as a Novel Potential Prognostic Biomarker Associated with Immune Infiltration in Head and Neck Squamous Cell CarcinomaHanping He, Feng Yuan, Ying Li, et al.Current Computer-Aided Drug Design|May 3, 2024
Computer-aided Drug Discovery Approaches in the Identification of Anticancer Drugs from Natural Products: A ReviewMuthiah Gnana Ruba Priya, Jessica Manisha, Lal Prasanth Mercy Lazar, et al.Current Computer-Aided Drug Design|January 8, 2024
Discovery of Novel Pyrimidine Based Small Molecule Inhibitors as VEGFR-2 Inhibitors: Design, Synthesis, and Anti-cancer StudiesSachin A Dhawale, Santosh N Mokale, Pratap S DabhadeCurrent Computer-Aided Drug Design|January 11, 2024
In-silico Design, ADMET Screening, Prime MM-GBSA Binding Free Energy Calculation and MD Simulation of Some Novel Phenothiazines as 5HT6R Antagonists Targeting Alzheimer's DiseasePrema V, Meena A, Ramalakshmi NPageof 82