1. Editorial: Special issue on quantum mechanical modeling of biological systems

   • Jean-Philip Piquemal
   • Dennis Salahub

   EditorialNotes 28 January 2010 Pages: 1 - 2

2. Study of the docking of competitive inhibitors at a model of tyrosinase active site: Insights from joint broken-symmetry/spin-flip DFT computations and ELF topological analysis

   • A. de la Lande
   • J. Maddaluno
   • J. -P. Piquemal

   OriginalPaper 28 January 2010 Pages: 3 - 11

3. Na⁺, K⁺ and Tl⁺ hydration from QM/MM computations and MD simulations with a polarizable force field

   • Bogdan B. Lev
   • Dennis R. Salahub
   • Sergei Yu Noskov

   OriginalPaper 28 January 2010 Pages: 12 - 20

4. Estimates of ligand-binding affinities supported by quantum mechanical methods

   • Pär Söderhjelm
   • Jacob Kongsted
   • Ulf Ryde

   OriginalPaper 28 January 2010 Pages: 21 - 37

5. Effect of the Enhanced Cyan Fluorescent Protein framework on the UV/visible absorption spectra of some chromophores

   • Adèle D. Laurent
   • Xavier Assfeld

   OriginalPaper 28 January 2010 Pages: 38 - 47

6. Looking for homochirality in the inter-stellar medium

   • G. Marloie
   • M. Lattelais
   • Y. Ellinger

   OriginalPaper 28 January 2010 Pages: 48 - 56

7. On the metal ion (Zn²⁺, Cu²⁺) coordination with beta-amyloid peptide: DFT computational study

   • T. Marino
   • N. Russo
   • M. Pavelka

   OriginalPaper 28 January 2010 Pages: 57 - 69

8. DFT study of a model system for the dealkylation step catalyzed by AlkB

   • G. Andrés Cisneros

   OriginalPaper 28 January 2010 Pages: 70 - 77

9. Computer simulations of quantum tunnelling in enzyme-catalysed hydrogen transfer reactions

   • Kara E. Ranaghan
   • Adrian J. Mulholland

   OriginalPaper 28 January 2010 Pages: 78 - 97

10. Cisplatin interaction with amino acids cysteine and methionine from gas phase to solutions with constant pH

    • Tomáš Zimmermann
    • Jaroslav V. Burda

    OriginalPaper 28 January 2010 Pages: 98 - 114

11. Theoretical QM/MM studies of enzymatic pericyclic reactions

    • S. Martí
    • J. Andrés
    • J. Bertrán

    OriginalPaper 28 January 2010 Pages: 115 - 131