Investigation of the crystal structure, supramolecular architecture and in-silico myelofibrosis inhibition of a triazole derivative: a structural and theoretical approach
Dheeraj Kumar, B.S. Chethan, Darshini Gowda, Kanchugarakoppal S. Rangappa, N.K. Lokanath
Topics & Concepts
ChemistryIntramolecular forceSupramolecular chemistryIntermolecular forceHydrogen bondDensity functional theoryNatural bond orbitalMoleculeComputational chemistryAtoms in moleculesMolecular orbitalDocking (animal)StereochemistryCrystallographyCrystal structureOrganic chemistryMedicineNursingSynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsQuinazolinone synthesis and applications