Computational model predicts protein binding sites of a luminescent ligand equipped with guanidiniocarbonyl-pyrrole groups

HIGHLIGHTS

• who: Neda Rafieiolhosseini et al. from the (ZMB), University of Duisburg-Essen have published the research work: Computational model predicts protein binding sites of a luminescent ligand equipped with guanidiniocarbonyl-pyrrole groups, in the Journal: (JOURNAL)
• what: On the basis of the final energy values of 4000 runs with a simulated annealing approach, we find the area above and below the central pore of 14-3-3u03b6 protein to be the most probable binding_sites for 1.
• how: The authors developed a coarse-grained model of 1 known as the BeadSpring model in the . . .
  

   

  

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