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Current Computer-Aided Drug Design|June 28, 2012
Structure-based development of antagonists for chemokine receptor CXCR4Chongqian Zhang, Tingjun Hou, Zhiwei Feng, et al.
Current Computer-Aided Drug Design|March 25, 2025
Discovery of Polyphenolic Compounds from Mangifera indica as Potent Therapeutics for Strongyloides stercoralis Infection via Computer-aided Drug DesignSamson Olusegun Afolabi, Abel Kolawole Oyebamiji, Omowumi Temitayo Akinola, et al.
Current Computer-Aided Drug Design|March 6, 2025
Designing and Evaluation of a Novel IL-1RA Fusion Cytokine to Enhance the Pharmacokinetics and Receptor Affinity for Better Therapeutic Intervention in Inflammatory DisordersAnith Kumar Rajendran, Kalimuthu Karuppanan, Senthilkumar Palanisamy
Current Computer-Aided Drug Design|December 9, 2024
Insights into the Molecular Mechanisms of Bushen Huoxue Decoction in Breast Cancer via Network Pharmacology and in vitro experimentsHongyi Liang, Guoliang Yin, Guangxi Shi, et al.
Current Computer-Aided Drug Design|September 25, 2024
Hybrid Class Balancing Approach for Chemical Compound Toxicity PredictionFelipe Santiago-Gonzalez, Jose L Martinez-Rodriguez, Carlos García-Perez, et al.
Current Computer-Aided Drug Design|October 30, 2024
Identifying Novel Inhibitors for Dengue NS2B-NS3 Protease by Combining Topological similarity, Molecular Dynamics, MMGBSA and SiteMap AnalysisSheikh Murtuja, Mohd Usman Mohd Siddique, Kumar Pratyush Srivastava, et al.
Current Computer-Aided Drug Design|February 20, 2025
In Silico Identification of Emblica officinalis Compounds Inhibiting Thermolabile Hemolysin from Vibrio alginolyticus in ShrimpSayed Mashequl Bari, Meamaching Marma, Nafees Bin Reza, et al.
Current Computer-Aided Drug Design|February 7, 2025
Qi-Gui-Jian-Gu Decoction Accelerates Osteogenesis and Fracture Healing by Activating the Wnt/β-Catenin Signaling PathwaySiluo Wu, Jiayang Wang, Ziheng Luo, et al.
Current Computer-Aided Drug Design|February 7, 2025
Network Pharmacology and Experimental Validation to Reveal the Pharmacological Mechanisms of Gynostemma pentaphylla against Acute PharyngitisJuan Zhong, Xiaozhong Wu, Chunxi Huang, et al.
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