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In silico approaches to understand and predict the ligand-binding interactions of the human P-glycoprotein (ABCB1) membrane transporter
The P-glycoprotein (P-gp) is responsible for the elimination of a wide variety of substances from the cell, thus it is thought to play an important role in detoxification functions. The P-gp also affects the ADMET (absorption, distribution, metabolism, excretion, and toxicity in pharmacokinetics) properties of drugs. It is involved in …