Small molecule hydration free energies in explicit solvent: An extensive test of fixed-charge atomistic simulations

Lignende værker

• Erratum: Small molecule hydration free energies in explicit solvent: An extensive test of fixed-charge force fields
  af: Mobley, David L., et al.
  Udgivet: (2015)
• Predictions of hydration free energies from all-atom molecular dynamics simulations
  af: Mobley, David L., et al.
  Udgivet: (2009)
• Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic finite-size effects
  af: Rocklin, Gabriel J., et al.
  Udgivet: (2013)
• Treating Entropy and Conformational Changes in Implicit Solvent Simulations of Small Molecules
  af: Mobley, David L., et al.
  Udgivet: (2008)
• Charge Asymmetries in Hydration of Polar Solutes
  af: Mobley, David L., et al.
  Udgivet: (2008)