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Conformational Properties of the Chemotherapeutic Drug Analogue Epothilone A: How to Model a Flexible Protein Ligand Using Scarcely Available Experimental Data.

Jozica DolencWilfred F. van GunsterenAndrea E. ProtaMichel O. SteinmetzJohn H. Missimer
Published in: J. Chem. Inf. Model. (2019)
Keyphrases
  • experimental data
  • dynamic model
  • drug discovery
  • probabilistic model
  • mathematical model
  • mathematical models
  • physical models
  • physico chemical