Comprehensive analysis of 2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrole: X-ray crystal structure, spectral, computational, molecular properties, docking studies, molecular dynamics, and MMPBSA
V.S. Jeba Reeda, P. Divya, A. Amala Jeya Ranchani, A. Manikandan, Shakeel Alvi, Rashid Ali, Nazia Siddiqui, Nazrul Haq, S. Muthu, Ray J. Butcher, Saleem Javed
Topics & Concepts
ChemistryMolecular dynamicsDocking (animal)PyrroleComputational chemistryMoleculeCrystallographyOrganic chemistryMedicineNursingSynthesis and Characterization of PyrrolesOrganic Chemistry Cycloaddition ReactionsNonlinear Optical Materials Research