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In Silico Pharmacology|June 9, 2025
2D-QSAR and molecular docking based virtual screening and molecular dynamic simulation of the indole based herbal molecules for the discovery of potent molecules in the treatment of Alzheimer's diseaseDeepika Paliwal, Ritam Mondal, Aman Thakur
In Silico Pharmacology|June 12, 2025
Molecular docking and molecular dynamics simulation studies of thiazole-coumarin and thiazole-triazole conjugates against Mpro and ACE2 receptor for SARS COV-2Deepak Mishra, Ram Singh, Nupur S Munjal, et al.
In Silico Pharmacology|June 12, 2025
Epitope-driven vaccine design against Listeria monocytogenes: an in-silico approachSachin Kumar, Shubham Moolchandani
In Silico Pharmacology|August 21, 2025
In silico discovery of alkaloids as VEGFR-2 inhibitors with favorable toxicity profiles: insights from molecular dynamics and MM/GBSANalanda da Silva Maués, Nalberth Batista Farias, Davi do Socorro Barros Brasil, et al.
In Silico Pharmacology|January 30, 2026
Anti-cervical cancer potential of apigenin, daidzein, and isokaempferide of Glycyrrhiza glabra Linn. Methanolic extract via network pharmacological analysisSanjeet Kumar Pandit, Binay Sen, Pradeep Kumar, et al.
In Silico Pharmacology|January 30, 2026
Revealing CASQ1 as a potential target for oral squamous cell carcinoma through gene expression and functional analysis: an in silico approachYamuna Annadurai, Murugesh Easwaran, Sriram Kaliamoorthy
In Silico Pharmacology|February 4, 2026
VP30 vanguard: pioneering an in-silico multi-epitope vaccine against Marburg virusSaba Beigh, Mohit Sharma, Inderjeet Bhogal, et al.
In Silico Pharmacology|January 30, 2026
Structure-based insights into novel alkylated pyrrole and flavonoid from Dracaena reflexa as potential inhibitors of SARS-CoV-2 main and spike protease with ADME analysisAbha Shukla, Palak Kansal, Swati Vats, et al.
In Silico Pharmacology|January 30, 2026
Antihyperlipidemic activity of Kalanchoe blossfeldiana leaf extract: phytochemical, in vitro, in vivo, and in silico insightsAbdul Rehman Riaz, Muhammad Islam, Hamid Saeed
In Silico Pharmacology|January 19, 2026
Targeting Alzheimer's diseases via nitro-substituted Schiff base derivatives: synthesis, DFT, and molecular dynamics studiesAbosede A Badeji, Samuel O Olalekan, Adesola A Adeleke, et al.
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