RMSD vs. simulation time of the catalytic loop (loop-4) in each model. Nan Wang Jiahong Jiang Xichen Li Hongwei Tan Jimin Zheng Guangju Chen Zongchao Jia 10.1371/journal.pone.0134879.g010 https://plos.figshare.com/articles/figure/_RMSD_vs_simulation_time_of_the_catalytic_loop_loop_4_in_each_model_/1506106 <p>Loop-4-1 and loop-4-2 represent two loop-4s in the model because of two YhdE molecules. RMSD vs. time of loop-4 in the apo-YhdE monomer of open/closed state is shown for comparison.</p> 2015-08-07 03:53:52 Free Energy Calculations YhdE dimerization allosteric communication network Molecular Dynamics Simulation Studies cell metabolism pathway dTTP binding sites YhdE Dimerization YhdE dTTP binding