Reparameterization of Protein Force Field Nonbonded Interactions Guided by Osmotic Coefficient Measurements from Molecular Dynamics Simulations

Lignende værker

• Osmotic Pressure Simulations of Amino Acids and Peptides Highlight Potential Routes to Protein Force Field Parameterization
  af: Miller, Mark S., et al.
  Udgivet: (2016)
• Reparameterization of Solute—Solute Interactions for Amino Acid-Sugar Systems Using Isopiestic Osmotic Pressure Molecular Dynamics Simulations
  af: Lay, Wesley K., et al.
  Udgivet: (2017)
• Correction to Reparameterization of Solute—Solute Interactions for Amino Acid–Sugar Systems Using Isopiestic Osmotic Pressure Molecular Dynamics Simulations
  af: Lay, Wesley K., et al.
  Udgivet: (2017)
• Optimizing Solute-Solute Interactions in the GLYCAM06 and CHARMM36 Carbohydrate Force Fields Using Osmotic Pressure Measurements
  af: Lay, Wesley K., et al.
  Udgivet: (2016)
• COFFDROP: A Coarse-Grained Nonbonded Force Field for Proteins Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of Amino Acids
  af: Andrews, Casey T., et al.
  Udgivet: (2014)