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Estimation of MD simulation equilibration and analysis of the stability of protein structure.
figure
posted on 2015-05-04, 02:44 authored by Fengchao Cui, Kecheng Yang, Yunqi LiTime evolutions of a) the backbone RMSD and b) the radius of gyration (Rg) of trypsin in MD simulations. Black color indicates trypsin in catechin-free form; red, blue, dark-cyan and magenta indicate trypsin in the complex with EC, ECG, EGC and EGCG, respectively.
