Structural and dynamical heterogeneity of water trapped inside Na+-pumping KR2 rhodopsin in the dark state
M. Santra, A. Seal, K. Bhattacharjee, S. Chakrabarty
The paper investigates water dynamics in KR2 rhodopsin's dark state using MD simulations, revealing structural and dynamical heterogeneity in water pockets and their interactions with protein residues.
bioRxiv · Sep 28, 2020Biophysics