Computation of relative binding free energy for an inhibitor and its analogs binding with erk kinase using thermodynamic integration md simulation

  • Kuan Wei Wu
  • , Po Chin Chen
  • , Jun Wang
  • , Ying Chieh Sun*
    • *Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

25 Citations (Scopus)

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Chemistry

Biochemistry, Genetics and Molecular Biology

Neuroscience

Material Science