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Computational screening identifies depsidones as promising Aurora A kinase inhibitors: extra precision docking and molecular dynamics studies.

Mohammed A. AlmogaddamTagyedeen H. ShoaibShaimaa G. A. MohamedGamal A. MohamedSabrin R. M. IbrahimHazem G. A. HusseinIklas A. SindiAbdulrahim A. Alzain
Published in: Netw. Model. Anal. Health Informatics Bioinform. (2024)
Keyphrases
  • molecular dynamics
  • high performance computing
  • scientific data
  • molecular dynamics simulations
  • biological data
  • fluid flow
  • data analysis
  • protein folding