Deciphering the interactions of genistein with β-cyclodextrin derivatives through experimental and microsecond timescale umbrella sampling simulations
Nabab Khan, Vijay Kumar Bhardwaj, Ruchika, Rituraj Purohit, Ankit Saneja
Topics & Concepts
CyclodextrinMolecular dynamicsChemistrySolubilityAqueous solutionFourier transform infrared spectroscopyBeta-CyclodextrinsSpectroscopyComputational chemistryCrystallographyPhysical chemistryOrganic chemistryChemical engineeringPhysicsEngineeringQuantum mechanicsDrug Solubulity and Delivery SystemsPhytoestrogen effects and researchFood composition and properties