2015
Ligare M.R., Rijs A.M., Berden G., Kabeláč M., Nachtigallová D., Oomens J., De Vries M.S.:
Resonant Infrared Multiple Photon Dissociation Spectroscopy of Anionic Nucleotide Monophosphate Clusters .
Journal of Physical Chemistry B 119: 7894-7901, 2015.
Cao L., Škalamera D., Zavalij P.Y., Hostaš J., Hobza P., Mlinarić-Majerski K., Glaser R., Isaacs L.:
Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammonium⋯ammonium distance .
Organic and Biomolecular Chemistry 13: 6249-6254, 2015.
Vaněk V., Pícha J., Fabre B., Buděšínský M., Lepšík M., Jiráček J.:
The development of a versatile trifunctional scaffold for biological applications .
European Journal of Organic Chemistry 2015: 3689-3701, 2015.
Mazzoni F., Becucci M., Řezáč J., Nachtigallová D., Michels F., Hobza P., Müller-Dethlefs K.:
Structure and energetics of the anisole-Ar
Physical Chemistry Chemical Physics 17: 12530-12537, 2015.
Řezáč J., Nachtigallová D., Mazzoni F., Pasquini M., Pietraperzia G., Becucci M., Müller-Dethlefs K., Hobza P.:
Binding energies of the pi-stacked anisole dimer: New molecular beam - Laser spectroscopy experiments and ccsd(t) calculations .
Chemistry - A European Journal 21: 6740-6746, 2015.
Machová I., Snášel J., Dostál J., Brynda J., Fanfrlík J., Singh M., Tarábek J., Vaněk O., Bednárová L., Pichová I.:
Structural and functional studies of phosphoenolpyruvate carboxykinase from Mycobacterium tuberculosis .
PLoS ONE in press, 2015.
Salahub D.R., Noskov S.Yu., Lev B., Zhang R., Ngo V., Goursot A., Calaminici P., Köster A.M., Alvarez-Ibarra A., Mejía-Rodríguez D., Řezáč J., Cailliez F., De La Lande A.:
QM/MM calculations with deMon2k .
Molecules 20: 4780-4812, 2015.
Pecina A., Lepšík M., Hnyk D., Hobza P., Fanfrlík J.:
Chalcogen and pnicogen bonds in complexes of neutral icosahedral and bicapped square-antiprismatic heteroboranes .
Journal of Physical Chemistry A 119: 1388-1395, 2015.
Dumont E., Dršata T., Guerra C.F., Lankaš F.:
Insights into the structure of intrastrand cross-link DNA lesion-containing oligonucleotides: G[8-5m]t and g[8-5]c from molecular dynamics simulations .
Biochemistry 54: 1259-1267, 2015.
Řezáč J., De La Lande A.:
Robust basis-set independent method for the evaluation of charge-transfer energy in noncovalent complexes .
Journal of Chemical Theory and Computation 11: 528-537, 2015.
Owens A., Yurchenko S.N., Thiel W., Špirko V.:
Accurate prediction of the ammonia probes of a variable proton-to-electron mass ratio .
Monthly Notices of the Royal Astronomical Society 450: 3191-3200, 2015.
Kolář M.H., Deepa P., Ajani H., Pecina A., Hobza P.:
Characteristics of a σ-hole and the nature of a halogen bond .
Topics in Current Chemistry 359: 1-26, 2015.
Řezáč J., Nachtigallová D., Mazzoni F., Pasquini M., Pietraperzia G., Becucci M., Müller-Dethlefs K., Hobza P.:
Binding Energies of the π-Stacked Anisole Dimer: New Molecular Beam-Laser Spectroscopy Experiments and CCSD(T) Calculations .
Chemistry - A European Journal in press, 2015.
Řezáč J., Nachtigallová D., Mazzoni F., Pasquini M., Pietraperzia G., Becucci M., Müller-Dethlefs K., Hobza P.:
Binding Energies of the π-Stacked Anisole Dimer: New Molecular Beam-Laser Spectroscopy Experiments and CCSD(T) Calculations .
Chemistry - A European Journal in press, 2015.
Kara M., Dršata T., Lankaš F., Zacharias M.:
Effect O6-guanine alkylation on DNA flexibility studied by comparative molecular dynamics simulations .
Biopolymers 103: 23-32, 2015.
Vaněk V., Pícha J., Fabre B., Buděšínský M., Lepšík M., Jiráček J.:
The development of a versatile trifunctional scaffold for biological applications .
European Journal of Organic Chemistry in press, 2015.
Vorlová B., Nachtigallová D., Jirásková-Vaníčková J., Ajani H., Jansa P., Řezáč J., Fanfrlík J., Otyepka M., Hobza P., Konvalinka J., Lepšík M.:
Malonate-based inhibitors of mammalian serine racemase: Kinetic characterization and structure-based computational study .
European Journal of Medicinal Chemistry 89: 189-197, 2015.