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Investigation of binding mechanism and downregulation of elacestrant for wild and L536S mutant estrogen receptor-α through molecular dynamics simulation and binding free energy analysis.

Kalaiarasi ChinnasamyManjula SaravananKumaradhas Poomani
Published in: J. Comput. Chem. (2020)
Keyphrases
  • molecular dynamics
  • free energy
  • molecular dynamics simulations
  • fixed point
  • numerical simulations
  • three dimensional
  • data management