咪唑类离子液体与酪氨酸相互作用及机理的密度泛函理论研究

吴智伟, 丁伟璐, 张雅琴, 王艳磊, 何宏艳

Interaction and Mechanism between Imidazolium Ionic Liquids and the Zwitterionic Amino Acid Tyr: a DFT Study

Zhiwei Wu, Weilu Ding, Yaqin Zhang, Yanlei Wang, Hongyan He

Fig 8 RDG scatter plot and surface plot of each IL-Tyr complexes. The isovalue of scatter plots and surface plots is 0.5 a.u., the blue regions and green regions in the right of the corresponding 3D plots represent a strong electrostatic interaction and a more dispersion attractive interaction, respectively. Color online.