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Molecular dynamics simulation of the human estrogen receptor alpha: contribution to the pharmacophore of the agonists.

Dessislava JerevaFilip FratevIvanka TsakovskaPetko AlovTania PenchevaIlza Pajeva
Published in: Math. Comput. Simul. (2017)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • scientific data
  • drug discovery
  • high performance computing
  • protein folding
  • fluid flow
  • breast cancer
  • database
  • data mining
  • sensor networks
  • parallel algorithm