Implicit ligand theory for relative binding free energies

Lignende værker

• Implicit ligand theory for relative binding free energies: II. An estimator based on control variates
  af: Nguyen, Trung Hai, et al.
  Udgivet: (2020)
• Implicit ligand theory: Rigorous binding free energies and thermodynamic expectations from molecular docking
  af: Minh, David D. L.
  Udgivet: (2012)
• Using the Fast Fourier Transform in Binding Free Energy Calculations
  af: Nguyen, Trung Hai, et al.
  Udgivet: (2017)
• Absolute binding free energies between T4 lysozyme and 141 small molecules: calculations based on multiple rigid receptor configurations
  af: Xie, Bing, et al.
  Udgivet: (2017)
• On Restraints in End-Point Protein-Ligand Binding Free Energy Calculations
  af: Menzer, William M., et al.
  Udgivet: (2019)