1. International workshop on “Modeling interaction in biomolecules IV”, held in Hrubá Skála, 14-19 September 2009

   • Jaroslav V. Burda
   • Andrzej W. Sokalski
   • Jerzy Leszczynski

   Editorial 17 September 2010 Pages: 1671 - 1671

2. On the observation of a gem diol intermediate after O–O bond cleavage by extradiol dioxygenases. A hybrid DFT study

   • Tomasz Borowski
   • Valentin Georgiev
   • Per E. M. Siegbahn

   Original Paper 18 February 2010 Pages: 1673 - 1677

   

3. Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

   • Felipe A. Bulat
   • Alejandro Toro-Labbé
   • Peter Politzer

   Original Paper 02 April 2010 Pages: 1679 - 1691

   

4. Theoretical study of structural changes caused by applying mechanical strain on peptide L₂₄

   • Miroslav Krajčí
   • Ján Urban
   • Pavel Mach

   Original Paper 12 May 2010 Pages: 1693 - 1699

   

5. Investigating reaction pathways in rare events simulations of antibiotics diffusion through protein channels

   • Eric Hajjar
   • Amit Kumar
   • Matteo Ceccarelli

   Original Paper 15 April 2010 Pages: 1701 - 1708

   

6. Environment influences on the aromatic character of nucleobases and amino acids

   • Piotr Cysewski
   • Beata Szefler

   Original Paper Open access 29 July 2010 Pages: 1709 - 1720

   

7. Non-additive interactions of nucleobases in model dinucleotide steps occurring in B-DNA crystals

   • Piotr Cysewski

   Original Paper 08 May 2010 Pages: 1721 - 1729

   

8. Average local ionization energy: A review

   • Peter Politzer
   • Jane S. Murray
   • Felipe A. Bulat

   Original Paper 22 April 2010 Pages: 1731 - 1742

   

9. Protein subunit interfaces: a statistical analysis of hot spots in Sm proteins

   • Srđan Đ. Stojanović
   • Božidarka L. Zarić
   • Snežana D. Zarić

   Original Paper 23 July 2010 Pages: 1743 - 1751

   

10. Reactivity versus steric effects in fluorinated ketones as esterase inhibitors: a quantum mechanical and molecular dynamics study

    • Josep Rayo
    • Lourdes Muñoz
    • Ramon Pouplana

    Original Paper 31 July 2010 Pages: 1753 - 1764

    

11. Electronic coherence dephasing in excitonic molecular complexes: Role of Markov and secular approximations

    • Jan Olšina
    • Tomáš Mančal

    Original Paper 14 July 2010 Pages: 1765 - 1778

    

12. Three applications of path integrals: equilibrium and kinetic isotope effects, and the temperature dependence of the rate constant of the [1,5] sigmatropic hydrogen shift in (Z)-1,3-pentadiene

    • Tomáš Zimmermann
    • Jiří Vaníček

    Original Paper 30 April 2010 Pages: 1779 - 1787

    

13. Theoretical description of hydrogen bonding in oxalic acid dimer and trimer based on the combined extended-transition-state energy decomposition analysis and natural orbitals for chemical valence (ETS-NOCV)

    • Mariusz P. Mitoraj
    • Rafał Kurczab
    • Artur Michalak

    Original Paper Open access 28 May 2010 Pages: 1789 - 1795

    

14. Structural and energetic consequences of oxidation of d(ApGpGpGpTpT) telomere repeat unit in complex with TRF1 protein

    • Piotr Cysewski
    • Przemysław Czeleń

    Original Paper 13 May 2010 Pages: 1797 - 1807