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Efficient Approximation of Ligand Rotational and Translational Entropy Changes upon Binding for Use in MM-PBSA Calculations.

Ido Y. Ben-ShalomStefania Pfeiffer-MarekKarl-Heinz BaringhausHolger Gohlke
Published in: J. Chem. Inf. Model. (2017)
Keyphrases
  • information theory
  • approximation algorithms
  • computer vision
  • decision trees
  • cost effective
  • rms error