Computational prediction for the metabolism of human UDP-glucuronosyltransferase 1A1 substrates.

NOGEA: A Network-oriented Gene Entropy Approach for Dissecting Disease Comorbidity and Drug Repositioning.

Large-scale exploration and analysis of drug combinations.

TCMSP: a database of systems pharmacology for drug discovery from herbal medicines.

Insight into the binding mode and the structural features of the pyrimidine derivatives as human A_2A adenosine receptor antagonists.

Systems pharmacology in drug discovery and therapeutic insight for herbal medicines.

Dynamic Analysis of Feedback Loops in Extra-Cellular Signal Regulated Kinase Signal Network.

Combined 3D-QSAR, Molecular Docking, and Molecular Dynamics Study on Piperazinyl-Glutamate-Pyridines/Pyrimidines as Potent P2Y₁₂ Antagonists for Inhibition of Platelet Aggregation.

Combined 3D-QSAR, Molecular Docking, and Molecular Dynamics Study on Piperazinyl-Glutamate-Pyridines/Pyrimidines as Potent P2Y₁₂ Antagonists for Inhibition of Platelet Aggregation.

MiR-206-mediated dynamic mechanism of the mammalian circadian clock.

Mechanism of MicroRNA-Target Interaction: Molecular Dynamics Simulations and Thermodynamics Analysis.

Investigation of binding features: Effects on the interaction between CYP2A6 and inhibitors.

Toward a system-level understanding of microRNA pathway via mathematical modeling.

Classification of Substrates and Inhibitors of P-Glycoprotein Using Unsupervised Machine Learning Approach.

An <i>in silico</i> approach for screening flavonoids as P-glycoprotein inhibitors based on a Bayesian-regularized neural network.