Standard binding free energies from computer simulations: What is the best strategy?

Lignende værker

• Efficient determination of protein-protein standard binding free energies from first principles
  af: Gumbart, James C., et al.
  Udgivet: (2013)
• Computations of Standard Binding Free Energies with Molecular Dynamics Simulations
  af: Deng, Yuqing, et al.
  Udgivet: (2009)
• Determination of Membrane-Insertion Free Energies by Molecular Dynamics Simulations
  af: Gumbart, James, et al.
  Udgivet: (2012)
• Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual Topology Free Energy Perturbation Approach in NAMD
  af: Jiang, Wei, et al.
  Udgivet: (2019)
• Calculation of absolute protein–ligand binding free energy from computer simulations
  af: Woo, Hyung-June, et al.
  Udgivet: (2005)