Multimolecular complexes of the phosphodiester anion with Zn( II ) or Mg( II ) and water molecules—Preliminary validations of a polarizable potential by ab initio quantum chemistry
Author:
Affiliation:
1. Laboratoire de Chimie Théorique UMR 7616 CNRS, Sorbonne Université Paris France
2. Laboratoire de Biologie et Pharmacologie Appliquées UMR 8113 CNRS, Ecole Normale Supérieure Paris‐Saclay Gif‐sur‐Yvette France
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26555
Reference77 articles.
1. Bidentate RNA–magnesium clamps: On the origin of the special role of magnesium in RNA folding
2. Cations in charge: magnesium ions in RNA folding and catalysis
3. Development of Site-Specific Mg2+–RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations
4. RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview
5. AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids
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