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A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1-Ligand Binding Free Energy Calculation.

Eko Aditya RifaiMarc van DijkNico P. E. VermeulenArry YanuarDaan P. Geerke
Published in: J. Chem. Inf. Model. (2019)
Keyphrases
  • free energy
  • three dimensional
  • lower bound
  • dynamic programming
  • upper bound
  • unsupervised learning
  • kernel function