Wang, Nan Jiang, Jiahong Li, Xichen Tan, Hongwei Zheng, Jimin Chen, Guangju Jia, Zongchao Average conformation of the YhdE closed state with dTTP bound in MD simulation (a) and the YhdE open state with dTTP bound in MD simulation (b). <p>The diagram on the left shows the interactions between dTTP and YhdE residues in the binding pocket. The diagram on the right shows two sodium ions that interact with dTTP and I29, E30 at the same time in the MD simulation.</p> Free Energy Calculations;YhdE dimerization;allosteric communication network;Molecular Dynamics Simulation Studies;cell metabolism pathway;dTTP binding sites;YhdE Dimerization YhdE;dTTP binding 2015-08-07
    https://plos.figshare.com/articles/figure/_Average_conformation_of_the_YhdE_closed_state_with_dTTP_bound_in_MD_simulation_a_and_the_YhdE_open_state_with_dTTP_bound_in_MD_simulation_b_/1506104
10.1371/journal.pone.0134879.g008