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Modeling the DFT structural and reactivity studies of a pyrimidine -6-carboxylate derivative with reference to its wavefunction-dependent, MD simulations and evaluation for potential antimicrobial activity

Medicinal ChemistryDerivative (Chemistry)Bioorganic ChemistryBiochemistryNatural SciencesChemical DerivativeOrganic ChemistryReactivity StudiesAntibacterial AgentAntimicrobial CompoundChemistryPotential Antimicrobial ActivityMd Simulations