Computational investigation of dioxin-like compounds as human sex hormone-binding globulin inhibitors: DFT calculations, docking study and molecular dynamics simulations
Nikita Tiwari, Ashutosh Kumar, Anjali Pandey, Anil Mishra
Topics & Concepts
ChemistryMolecular dynamicsDocking (animal)Computational chemistryDensity functional theoryNursingMedicineToxic Organic Pollutants ImpactEffects and risks of endocrine disrupting chemicalsPharmaceutical and Antibiotic Environmental Impacts