Accurate Transferable Model for Water,n-Octanol, andn-Hexadecane Solvation Free Energies

This publication has 24 references indexed in Scilit:

• GB/SA-Based Continuum Solvation Model for Octanol
  The Journal of Physical Chemistry B, 1997
• A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
  The Journal of Chemical Physics, 1997
• Self-Consistent-Field Calculation of Pauli Repulsion and Dispersion Contributions to the Solvation Free Energy in the Polarizable Continuum Model
  The Journal of Physical Chemistry B, 1997
• The Contour-Buildup Algorithm to Calculate the Analytical Molecular Surface
  Journal of Structural Biology, 1996
• Solvent Effects. 5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab Initio Reaction Field Calculations
  The Journal of Physical Chemistry, 1996
• Atomic solvation parameters applied to molecular dynamics of proteins in solution
  Protein Science, 1992
• Atomic charges derived from semiempirical methods
  Journal of Computational Chemistry, 1990
• Improvements of the continuum model. 1. Application to the calculation of the vaporization thermodynamic quantities of nonassociated liquids
  The Journal of Physical Chemistry, 1988
• Peptide quantitative structure-activity relationships, a multivariate approach
  Journal of Medicinal Chemistry, 1987
• An approach to computing electrostatic charges for molecules
  Journal of Computational Chemistry, 1984