Selected article for: "active site and binding site"

Author: Wang, Xue-Jiao; Zhang, Jun; Wang, Shu-Qing; Xu, Wei-Ren; Cheng, Xian-Chao; Wang, Run-Ling
Title: Identification of novel multitargeted PPARa/?/d pan agonists by core hopping of rosiglitazone
  • Document date: 2014_11_7
  • ID: uotug8ej_12
    Snippet: In order to study the binding stability of compounds with PPARs active site, the 10ns molecular dynamics simulations were performed using the open GROMACS 4.0 package for Linux ( Figure 2 ). 28 Before the simulations, the coordinate file and topology file were prepared 29.....
    Document: In order to study the binding stability of compounds with PPARs active site, the 10ns molecular dynamics simulations were performed using the open GROMACS 4.0 package for Linux ( Figure 2 ). 28 Before the simulations, the coordinate file and topology file were prepared 29

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