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Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations.

Tingjun HouJunmei WangYouyong LiWei Wang
Published in: J. Chem. Inf. Model. (2011)
Keyphrases
  • free energy
  • missing values
  • higher order