Implementation of Extended Lagrangian Dynamics in GROMACS for Polarizable Simulations Using the Classical Drude Oscillator Model

Lignende værker

• Polarizable Force Field for RNA Based on the Classical Drude Oscillator
  af: Lemkul, Justin A., et al.
  Udgivet: (2018)
• Statistical mechanics of polarizable force fields based on classical Drude oscillators with dynamical propagation by the dual-thermostat extended Lagrangian
  af: Rupakheti, Chetan, et al.
  Udgivet: (2020)
• An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications
  af: Lemkul, Justin A., et al.
  Udgivet: (2016)
• Six-site polarizable model of water based on the classical Drude oscillator
  af: Yu, Wenbo, et al.
  Udgivet: (2013)
• Polarizable Force Field for DNA Based on the Classical Drude Oscillator: II. Microsecond Molecular Dynamics Simulations of Duplex DNA
  af: Lemkul, Justin A., et al.
  Udgivet: (2017)