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An assessment of crucial structural contributors of HDAC6 inhibitors through fragment-based non-linear pattern recognition and molecular dynamics simulation approaches.

Suvankar BanerjeeSandeep JanaTarun JhaBalaram GhoshNilanjan Adhikari
Published in: Comput. Biol. Chem. (2024)
Keyphrases
  • molecular dynamics
  • pattern recognition
  • molecular dynamics simulations
  • machine learning
  • management system
  • fault tolerant
  • high performance computing