Assessing the performance of the MM/PBSA and MM/GBSA methods: I. The accuracy of binding free energy calculations based on molecular dynamics simulations

Παρόμοια τεκμήρια

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• The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
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• Revisiting Free Energy Calculations: A Theoretical Connection to MM/PBSA and Direct Calculation of the Association Free Energy
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  Έκδοση: (2004)
• A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1–Ligand Binding Free Energy Calculation
  ανά: Rifai, Eko Aditya, κ.ά.
  Έκδοση: (2019)