Bridging traditional and contemporary approaches in computational medicinal chemistry: opportunities for innovation in drug discovery. [PDF]
de Oliveira AS.
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Identification of bioactive phytoconstituents as promising ABL2 inhibitors using virtual screening and molecular dynamics simulation. [PDF]
Elayyan AEM +4 more
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AI-Integrated QSAR Modeling for Enhanced Drug Discovery: From Classical Approaches to Deep Learning and Structural Insight. [PDF]
Koirala M, Yan L, Mohamed Z, DiPaola M.
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Marine fungal metabolites as antiviral agents: Computer-aided drug screening for selective inhibition of African swine fever virus dUTPase. [PDF]
Macalalad MAB, Orosco FL.
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Synergistic therapeutic impact of dichloroacetate nanoparticles and doxorubicin in modulating pyruvate dehydrogenase kinase in breast carcinoma model. [PDF]
Salem MM +3 more
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Meta-Analysis and Topological Perturbation in Interactomic Network for Antiopioid Addiction Drug Repurposing. [PDF]
Zhang C +7 more
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In silico-driven protocol for hit-to-lead optimization: a case study on PDE9A inhibitors. [PDF]
Ogawa H, Ohta M, Ikeguchi M.
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Advancing ADMET prediction for major CYP450 isoforms: graph-based models, limitations, and future directions. [PDF]
Abdelwahab AA, Elattar MA, Fawzi SA.
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Repurposing FDA-Approved Drugs as Hendra Virus RNA-Dependent RNA Polymerase Inhibitors: A Comprehensive Computational Drug Discovery Approach. [PDF]
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