FFParam: Standalone Package for CHARMM Additive and Drude Polarizable Force Field Parametrization of Small Molecules

Lignende værker

• CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides
  af: Jana, Madhurima, et al.
  Udgivet: (2015)
• Polarizability rescaling and atom-based Thole scaling in the CHARMM Drude polarizable force field for ethers
  af: Baker, Christopher M., et al.
  Udgivet: (2009)
• Improved Modeling of Halogenated Ligand-Protein Interactions using the Drude Polarizable and CHARMM Additive Empirical Force Fields
  af: Lin, Fang-Yu, et al.
  Udgivet: (2018)
• CHARMM Drude Polarizable Force Field for Glycosidic Linkages Involving Pyranoses and Furanoses
  af: Aytenfisu, Asaminew H., et al.
  Udgivet: (2018)
• A Comparative Kirkwood-Buff Study of Aqueous Methanol Solutions Modeled by the CHARMM Additive and Drude Polarizable Force Fields
  af: Lin, Bin, et al.
  Udgivet: (2013)