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.

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.