Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach.
有机胺的反应性和药用潜力的计算评价：DFT、分子动力学模拟和分子对接方法
期刊:Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
影响因子:4.6
doi:10.1016/j.saa.2019.117188
Abraham Christina Susan, Muthu S, Prasana Johanan Christian, ArmakoviÄ Stevan, ArmakoviÄ Sanja J, Rizwana B Fathima, Geoffrey Ben, David R Host Antony
