Comparative binding energetics of Mg²⁺, Ca²⁺, Zn²⁺, and Cd²⁺ to biologically relevant ligands: Combined ab initio SCF supermolecule and molecular mechanics investigation

This publication has 19 references indexed in Scilit:

• A molecular mechanics/continuum reaction field investigation of the interactions between polar amino acid side chains in water and organic solvents
  Biopolymers, 1995
• A Comprehensive Energy Component Analysis of the Interaction of Hard and Soft Dications with Biological Ligands
  Journal of the American Chemical Society, 1994
• Conformational behaviour of the active and inactive forms of the nucleocapsid NCp7 of HIV-1 studied by 1H NMR
  Journal of Molecular Biology, 1994
• Long range nonbonded attractive constants for some charged atoms
  Journal of Computational Chemistry, 1991
• Implementation of nonadditive intermolecular potentials by use of molecular dynamics: development of a water-water potential and water-ion cluster interactions
  Journal of the American Chemical Society, 1990
• Transferability of molecular distributed polarizabilities from a simple localized orbital based method
  The Journal of Physical Chemistry, 1989
• The exact multicenter multipolar part of a molecular charge distribution and its simplified representations
  The Journal of Chemical Physics, 1988
• Improvements of the continuum model. 1. Application to the calculation of the vaporization thermodynamic quantities of nonassociated liquids
  The Journal of Physical Chemistry, 1988
• Intermolecular interactions: Elaboration on an additive procedure including an explicit charge‐transfer contribution
  International Journal of Quantum Chemistry, 1986
• Cation–ligand interactions: Reproduction of extended basis set Ab initio SCF computations by the SIBFA 2 additive procedure
  International Journal of Quantum Chemistry, 1985