Computational investigation of cis-1,4-polyisoprene binding to the latex-clearing protein lcpk30

HIGHLIGHTS

• What: The research was funded by the Malaysian Rubber Board who provided a studentship for AAH and financial support for the project. Binding of oligoisoprenoids to latex clearing protein To expand the investigation , the authors explored dominant energy factors that drive the cis1,4-polyisoprene binding to LcpK30, by calculating van der Waals and electrostatic energy terms with linear interaction energy on structures of the complex from MD simulations of all docking solutions from ChemPLP and ChemScore (Fig 10).
• Who: Aziana Abu Hassan and colleagues from the Faculty of Engineering, University of Nottingham, Nottingham, United . . .
  

   

  

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