articleChemical Physics LettersNov 22, 2005Closed access

A polarizable model of water for molecular dynamics simulations of biomolecules

GLGuillaume LamoureuxEHEdward HarderIVIgor VorobyovBRBenoı̂t RouxADAlexander D. MacKerell

Université de Montréal · Cornell University · +1 more institution

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Topics & keywords

Topics
Keywords
  • Polarizability
  • Molecular dynamics
  • Drude model
  • Enthalpy of vaporization
  • Dielectric
  • Thermodynamics
  • Chemistry
  • Force field (fiction)
UN Sustainable Development Goals
  • Clean water and sanitation
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