18 results on '"Wang, Fangfang"'
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2. Quantitative structure-activity relationship models for bitter-tasting tripeptides based on integrated descriptors
3. In silico prediction of estrogen receptor subtype binding affinity and selectivity using 3D-QSAR and molecular docking
4. Structural characterization of plasmodial aminopeptidase: a combined molecular docking and QSAR-based in silico approaches
5. Statistical methods and molecular docking for the prediction of thyroid hormone receptor subtype binding affinity and selectivity
6. Molecular simulation of a series of benzothiazole PI3Kα inhibitors: probing the relationship between structural features, anti-tumor potency and selectivity
7. Structural requirements of pyrimidine, thienopyridine and ureido thiophene carboxamide-based inhibitors of the checkpoint kinase 1: QSAR, docking, molecular dynamics analysis
8. Structural determinants of imidacloprid-based nicotinic acetylcholine receptor inhibitors identified using 3D-QSAR, docking and molecular dynamics
9. Structural determinants of benzodiazepinedione/peptide-based p53-HDM2 inhibitors using 3D-QSAR, docking and molecular dynamics
10. A network pharmacology approach to explore active compounds and pharmacological mechanisms of a patented Chinese herbal medicine in the treatment of endometriosis.
11. Toward the identification of a reliable 3D-QSAR model for the protein tyrosine phosphatase 1B inhibitors.
12. Studies on the antibacterial activities and molecular mechanism of GyrB inhibitors by 3D-QSAR, molecular docking and molecular dynamics simulation.
13. Structural analysis of selective agonists of thyroid hormone receptor β using 3D-QSAR and molecular docking.
14. Studies on molecular mechanism between SHP2 and pyridine derivatives by 3D-QSAR, molecular docking and MD simulations.
15. In silico prediction of inhibitory effects of pyrazol-5-one and indazole derivatives on GSK3β kinase enzyme
16. Development of in silico models for pyrazoles and pyrimidine derivatives as cyclin-dependent kinase 2 inhibitors
17. Molecular description of pyrimidine-based inhibitors with activity against FAK combining 3D-QSAR analysis, molecular docking and molecular dynamics.
18. Discovery of High Affinity Receptors for Dityrosine through Inverse Virtual Screening and Docking and Molecular Dynamics.
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