Structure-property relationship in thioxotriaza-spiro derivative: Crystal structure and molecular docking analysis against SARS-CoV-2 main protease
Mahesha Mahesha, A.H. Udaya Kumar, K.G. Vindya, K.J. Pampa, Kanchugarakoppal S. Rangappa, N.K. Lokanath
Topics & Concepts
ChemistryHydrogen bondIntermolecular forceDocking (animal)MoleculeCrystallographyNon-covalent interactionsCrystal structureCovalent bondInteraction energyHydrophobic effectAtoms in moleculesStereochemistryComputational chemistryBiochemistryOrganic chemistryMedicineNursingSynthesis and biological activityNonlinear Optical Materials ResearchCrystallography and molecular interactions