Structural and theoretical analysis, molecular docking/dynamics investigation of 3-(1-m-chloridoethylidene)-chromane-2,4‑dione: The role of chlorine atom
Edina Avdović, Dušan Dimić, Marek Fronc, Jozef Kožı́šek, Erik Klein, Žiko Milanović, Ana Kesić, Zoran Marković
Topics & Concepts
ChemistryNatural bond orbitalComputational chemistryReactivity (psychology)Molecular dynamicsDocking (animal)Derivative (finance)StereochemistryCrystallographyDensity functional theoryFinancial economicsAlternative medicineEconomicsMedicineNursingPathologySynthesis and Biological EvaluationSynthesis and biological activityFree Radicals and Antioxidants