| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Average local ionization energy: A review
|
Politzer, Peter
|
|
2010
|
16 |
11 |
p. 1731-1742
|
artikel
|
| 2 |
Electronic coherence dephasing in excitonic molecular complexes: Role of Markov and secular approximations
|
Olšina, Jan
|
|
2010
|
16 |
11 |
p. 1765-1778
|
artikel
|
| 3 |
Environment influences on the aromatic character of nucleobases and amino acids
|
Cysewski, Piotr
|
|
2010
|
16 |
11 |
p. 1709-1720
|
artikel
|
| 4 |
International workshop on “Modeling interaction in biomolecules IV”, held in Hrubá Skála, 14-19 September 2009
|
Burda, Jaroslav V.
|
|
2010
|
16 |
11 |
p. 1671
|
artikel
|
| 5 |
Investigating reaction pathways in rare events simulations of antibiotics diffusion through protein channels
|
Hajjar, Eric
|
|
2010
|
16 |
11 |
p. 1701-1708
|
artikel
|
| 6 |
Non-additive interactions of nucleobases in model dinucleotide steps occurring in B-DNA crystals
|
Cysewski, Piotr
|
|
2010
|
16 |
11 |
p. 1721-1729
|
artikel
|
| 7 |
On the observation of a gem diol intermediate after O–O bond cleavage by extradiol dioxygenases. A hybrid DFT study
|
Borowski, Tomasz
|
|
2010
|
16 |
11 |
p. 1673-1677
|
artikel
|
| 8 |
Protein subunit interfaces: a statistical analysis of hot spots in Sm proteins
|
Stojanović, Srđan Đ.
|
|
2010
|
16 |
11 |
p. 1743-1751
|
artikel
|
| 9 |
Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies
|
Bulat, Felipe A.
|
|
2010
|
16 |
11 |
p. 1679-1691
|
artikel
|
| 10 |
Reactivity versus steric effects in fluorinated ketones as esterase inhibitors: a quantum mechanical and molecular dynamics study
|
Rayo, Josep
|
|
2010
|
16 |
11 |
p. 1753-1764
|
artikel
|
| 11 |
Structural and energetic consequences of oxidation of d(ApGpGpGpTpT) telomere repeat unit in complex with TRF1 protein
|
Cysewski, Piotr
|
|
2010
|
16 |
11 |
p. 1797-1807
|
artikel
|
| 12 |
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)
|
Mitoraj, Mariusz P.
|
|
2010
|
16 |
11 |
p. 1789-1795
|
artikel
|
| 13 |
Theoretical study of structural changes caused by applying mechanical strain on peptide L24
|
Krajčí, Miroslav
|
|
2010
|
16 |
11 |
p. 1693-1699
|
artikel
|
| 14 |
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
|
Zimmermann, Tomáš
|
|
2010
|
16 |
11 |
p. 1779-1787
|
artikel
|
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