Virtual screening, molecular dynamics, density functional theory and quantitative structure activity relationship studies to design peroxisome proliferator-activated receptor- agonists as anti-diabetic drugs
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS(2021)
关键词
Virtual screening,Molecular dynamics,Type 2 diabetes,PPAR-gamma agonists,Insulin sensitizer,Quantitative-structural-activity-relationship,Partial-Least-Square Regression,Principal-Component-Analysis
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