Alchemical free energy methods for drug discovery: Progress and challenges

Lignende værker

• Perspective: Alchemical free energy calculations for drug discovery
  af: Mobley, David L., et al.
  Udgivet: (2012)
• On the use of orientational restraints and symmetry corrections in alchemical free energy calculations
  af: Mobley, David L., et al.
  Udgivet: (2006)
• Uncertainty Quantification in Alchemical Free Energy Methods
  af: Bhati, Agastya P., et al.
  Udgivet: (2018)
• Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery
  af: Lee, Tai-Sung, et al.
  Udgivet: (2020)
• Alchemical prediction of hydration free energies for SAMPL
  af: Mobley, David L., et al.
  Udgivet: (2011)