Development of Polarizable Gaussian Model for Molecular Mechanical Calculations I: Atomic Polarizability Parameterization to Reproduce Ab Initio Anisotropy

Documenti analoghi

• Development of Polarizable Models for Molecular Mechanical Calculations I: Parameterization of Atomic Polarizability
  di: Wang, Junmei, et al.
  Pubblicazione: (2011)
• Development of Polarizable Models for Molecular Mechanical Calculations IV: van der Waals parameterization
  di: Wang, Junmei, et al.
  Pubblicazione: (2012)
• Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations
  di: Wei, Haixin, et al.
  Pubblicazione: (2020)
• AUTOMATED FORCE FIELD PARAMETERIZATION FOR NON-POLARIZABLE AND POLARIZABLE ATOMIC MODELS BASED ON AB INITIO TARGET DATA
  di: Huang, Lei, et al.
  Pubblicazione: (2013)
• Development of Polarizable Models for Molecular Mechanical Calculations III: Polarizable Water Models Conforming to Thole Polarization Screening Schemes
  di: Wang, Jun, et al.
  Pubblicazione: (2012)