Insight into the effect of functional groups on the inhibition performance for imidazoline: DFT and MD simulations
Manxi Leng, Yutong Xue, Liang Luo, Xin Chen
Topics & Concepts
ChemistryImidazoline receptorDensity functional theoryComputational chemistryMedicinal chemistryPharmacologyMedicineSynthesis and Biological EvaluationCorrosion Behavior and InhibitionOrganic Chemistry Cycloaddition Reactions