D3R Grand Challenge 4: Ligand similarity and MM-GBSA-based pose prediction and affinity ranking for BACE-1 inhibitors

Lignende værker

• Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4
  af: El Khoury, Léa, et al.
  Udgivet: (2019)
• The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
  af: Genheden, Samuel, et al.
  Udgivet: (2015)
• Assessing the performance of the MM/PBSA and MM/GBSA methods: II. The accuracy of ranking poses generated from docking
  af: Hou, Tingjun, et al.
  Udgivet: (2010)
• D3R Grand Challenge 3: Blind Prediction of Protein-Ligand Poses and Affinity Rankings
  af: Gaieb, Zied, et al.
  Udgivet: (2019)
• D3R Grand Challenge 2: Blind Prediction of Protein-Ligand Poses, Affinity Rankings, and Relative Binding Free Energies
  af: Gaieb, Zied, et al.
  Udgivet: (2017)