Complexes of Pentahydrated Zn²⁺ with Guanine, Adenine, and the Guanine−Cytosine and Adenine−Thymine Base Pairs. Structures and Energies Characterized by Polarizable Molecular Mechanics and ab Initio Calculations

This publication has 42 references indexed in Scilit:

• Joint quantum chemical and polarizable molecular mechanics investigation of formate complexes with penta- and hexahydrated Zn2+: Comparison between energetics of model bidentate, monodentate, and through-water Zn2+ binding modes and evaluation of nonadditivity effects
  Journal of Computational Chemistry, 1999
• Effect of transition metals on binding of p53 protein to supercoiled DNA and to consensus sequence in DNA fragments
  Oncogene, 1999
• On the potential role of the amino nitrogen atom as a hydrogen bond acceptor in macromolecules
  Journal of Molecular Biology, 1998
• Model, Multiply Hydrogen-Bonded Water Oligomers (N = 3−20). How Closely Can a Separable, ab Initio-Grounded Molecular Mechanics Procedure Reproduce the Results of Supermolecule Quantum Chemical Computations?
  The Journal of Physical Chemistry A, 1997
• Characterization of the Zinc-induced Structural Transition to *H-DNA at a d(GA·CT)22 Sequence
  Journal of Molecular Biology, 1993
• A new mixing of Hartree–Fock and local density-functional theories
  The Journal of Chemical Physics, 1993
• The exact multicenter multipolar part of a molecular charge distribution and its simplified representations
  The Journal of Chemical Physics, 1988
• Merlin - a portable system for multidimensional minimization
  Computer Physics Communications, 1987
• Cationic metals promote sequence-directed DNA bending
  Biochemistry, 1987
• Intermolecular interactions: Elaboration on an additive procedure including an explicit charge‐transfer contribution
  International Journal of Quantum Chemistry, 1986