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Discovery of Plant-Derived Natural Compounds as Novel GABA Aminotransferase Inhibitors: Structure-Based Discovery, Experimental Validation, and Molecular Dynamics Analysis

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Computational Identification of FDA-Approved Drugs as STAT3 Dimerization Inhibitors for Therapeutic Applications

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Molecular Basis of GABA Aminotransferase Inhibition in Epilepsy: Structure, Mechanisms, and Drug Development

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Computational Analysis of GAT1 Mutations: Functional Consequences from Molecular Dynamics and Binding Free Energy Calculations

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Structure-Guided Identification of JAK2 Inhibitors: From Similarity to Stability and Specificity

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Integration of Deep Learning with Molecular Docking and Molecular Dynamics Simulation for Novel TNF-α-Converting Enzyme Inhibitors

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Mechanistic Insights into Vorinostat as a Repositioned Modulator of TACE-Mediated TNF-α Signaling via MAPK and NFκB Pathways

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Recent advances and future perspectives in small molecule JAK2 inhibitors

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Exploring the Therapeutic Potential of Rehmannia glutinosa: A Network Pharmacology and Molecular Docking Analysis Across Multiple Diseases

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Investigating Natural Product Inhibitors of IKKα: Insights from Integrative In Silico and Experimental Validation

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Discovery of Plant-Derived Natural Compounds as Novel GABA Aminotransferase Inhibitors: Structure-Based Discovery, Experimental Validation, and Molecular Dynamics Analysis

Computational Identification of FDA-Approved Drugs as STAT3 Dimerization Inhibitors for Therapeutic Applications

Molecular Basis of GABA Aminotransferase Inhibition in Epilepsy: Structure, Mechanisms, and Drug Development

Computational Analysis of GAT1 Mutations: Functional Consequences from Molecular Dynamics and Binding Free Energy Calculations

Structure-Guided Identification of JAK2 Inhibitors: From Similarity to Stability and Specificity

Integration of Deep Learning with Molecular Docking and Molecular Dynamics Simulation for Novel TNF-α-Converting Enzyme Inhibitors

Mechanistic Insights into Vorinostat as a Repositioned Modulator of TACE-Mediated TNF-α Signaling via MAPK and NFκB Pathways

Recent advances and future perspectives in small molecule JAK2 inhibitors

Exploring the Therapeutic Potential of Rehmannia glutinosa: A Network Pharmacology and Molecular Docking Analysis Across Multiple Diseases

Investigating Natural Product Inhibitors of IKKα: Insights from Integrative In Silico and Experimental Validation