Ždánská P.R., Moiseyev N.:
Hartree-Fock orbitals for complex-scaled configuration interaction calculation of highly excited Feshbach resonances.
Journal of Chemical Physics 123 (19): Art. No. 194105, 2005.

Niederhafner P., Šebestík J., Ježek J.:
Peptide dendrimers.
Journal of Peptide Science 11 (12): 757-788, 2005.

Bouř P., Budešínský M., Špirko V., Kapitán J., Šebestík J., Sychrovský V.:
A complete set of NMR chemical shifts and spin-spin coupling constants for L-alanyl-L-alanine zwitterion and analysis of its conformational behavior.
Journal of the American Chemical Society 127 (48): 17079-17089, 2005.

Bouř P., Keiderling T.A.:
Vibrational spectral simulation for peptides of mixed secondary structure: Method comparisons with the TrpZip model hairpin.
Journal of Physical Chemistry B 109 (49): 23687-23697, 2005.

Bouř P., Andrushchenko V., Kabeláč M., Maharaj V., Maharaj V.:
Simulations of structure and vibrational spectra of deoxyoctanucleotides.
Journal of Physical Chemistry B 109 (43): 20579-20587, 2005.

Sychrovský V., Muller N., Schneider B., Smrecki V., Špirko V., Šponer J., Trantírek L.:
Sugar pucker modulates the cross-correlated relaxation rates across the glycosidic bond in DNA.
Journal of the American Chemical Society 127 (42): 14663-14667, 2005.

Bouř P.:
Convergence properties of the normal mode optimization and its combination with molecular geometry constraints.
Collection of Czechoslovak Chemical Communications 70 (9): 1315-1340, 2005.

Šponer J.E., Leszczynski J., Sychrovský V., Šponer J.:
Sugar edge/sugar edge base pairs in RNA: Stabilities and structures from quantum chemical calculations.
Journal of Physical Chemistry B 109 (39): 18680-18689, 2005.

Dostál J., Dlouhá H., Maloň P., Píchová I., Hrušková-Heidingsfeldova O.:
The precursor of secreted aspartic proteinase Sapp1p from Candida parapsilosis can be activated both autocatalytically and by a membrane-bound processing proteinase.
Biological Chemistry 386 (8): 791-799, 2005.

Vendrely C., Valadie H., Bednárová L., Cardin L., Pasdeloup M., Cappadoro K., Bednář J., Rinaudo M., Jamin M.:
Assembly of the full-length recombinant mouse prion protein I. Formation of soluble oligomers.
Biochimica Et Biophysica Acta-general Subjects 1724 (3): 355-366, 2005.

Bernátková M., Dvořáková H., Andrioletti B., Král V., Bouř P.:
Conformational transitions of calixphyrin derivatives monitored by temperature-dependent NMR spectroscopy. Ab initio interpretation of the spectra.
Journal of Physical Chemistry A 109 (24): 5518-5526, 2005.

Drsata J., Bousová I., Maloň P.:
Determination of quality of pyridoxal-5'-phosphate enzyme preparations by spectroscopic methods.
Journal of Pharmaceutical and Biomedical Analysis 37 (5): 1173-1177, 2005.

Kapitán J., Baumruk V., Gut V., Hlaváček J., Dlouhá H., Urbanová M., Wünsch E., Maloň P.:
Raman optical activity of the central part of hinge peptide.
Collection of Czechoslovak Chemical Communications 70 (4): 403-409, 2005.

Bouř P., Michalík D., Kapitán J.:
Empirical solvent correction for multiple amide group vibrational modes.
Journal of Chemical Physics 122 (14): Art. No. 144501, 2005.

Šebestík J., Hlaváček J., Stibor I.:
Molecular recognition of cyclic-nucleotides and current sensors for their detection.
Current Protein & Peptide Science 6 (2): 133-142, 2005.

Bouř P., Keiderling T.A.:
Ab initio modeling of amide I coupling in antiparallel ss-Sheets and the effect of C-13 isotopic labeling on infrared spectra.
Journal of Physical Chemistry B 109 (11): 5348-5357, 2005.