Coupling between protein, water, and protonation dynamics in channelrhodopsins and photosystem II (C04)

通道视紫红质-2（ChR 2）和光系统II（PSII）中的功能关键过程涉及蛋白质特定氨基酸残基质子化状态的变化。如何在质子化的变化与蛋白质的构象动力学和水动力学耦合的关键问题得到解决。理论生物物理学技术被用来研究动态的ChRs和PSII在水合脂质膜环境中，探测蛋白质和水动力学的质子化或突变的变化，解剖氢键网络和计算质子转移途径的响应。

Functionally crucial processes in channelrhodopsin-2 (ChR2) and photosystem II (PSII) involve changes in the protonation states of specific amino acid residues of the protein. The key open question of how changes in protonation couple with both protein conformational dynamics and water dynamics is addressed. Theoretical biophysics techniques are used to study the dynamics of ChRs and PSII in hydrated lipid membrane environments, probe the response of protein and water dynamics to changes in protonation or mutations, dissect hydrogen-bonded networks and compute proton-transfer pathways.