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Suboptimal paths of cruzain analyzed systems.

  • Lilian Hernández Alvarez (739728)
  • Diego Enry Barreto Gomes (739732)
  • Jorge Enrique Hernández González (739730)
  • Pedro Geraldo Pascutti (564220)
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Publication date
January 2019
Icon DOI
10.1371/journal.pone.0211227.g016
Publisher
Public Library of Science (PLoS)

Abstract

The 500 suboptimal paths between THR14 and CYS25 residues were calculated for (A) cruzain apo form, (B) cruzain-peptide, (C) cruzain-compound 1, (D) cruzain-compound 2, (E) cruzain-peptide-compound 1 and (F) cruzain-peptide-compound 2 trajectories. The shorter and longer paths are shown as blue and red splines, respectively.</p

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