The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

פריטים דומים

• Comparison of Radii Sets, Entropy, QM Methods, and Sampling on MM-PBSA, MM-GBSA, and QM/MM-GBSA Ligand Binding Energies of F. tularensis Enoyl-ACP Reductase (FabI)
  מאת: Su, Pin-Chih, et al.
  יצא לאור: (2015)
• Assessing the performance of MM/PBSA and MM/GBSA methods. 8. Predicting binding free energies and poses of protein–RNA complexes
  מאת: Chen, Fu, et al.
  יצא לאור: (2018)
• Assessing the performance of the MM/PBSA and MM/GBSA methods: I. The accuracy of binding free energy calculations based on molecular dynamics simulations
  מאת: Hou, Tingjun, et al.
  יצא לאור: (2010)
• Assessing the performance of the MM/PBSA and MM/GBSA methods: II. The accuracy of ranking poses generated from docking
  מאת: Hou, Tingjun, et al.
  יצא לאור: (2010)
• Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations
  מאת: Misini Ignjatović, Majda, et al.
  יצא לאור: (2016)