@jh-inst.cas.cz
Computational Chemistry
J. Heyrovsky Institute of Physical Chemistry
Molecular dynamic simulations, quantum chemistry calculations, chemical physics, proteins, enzymes, methaloenzymes, nucleic acids (DNA, RNA).
Understanding structure and dynamics of organic liquid mixtures by molecular simulations, Vokacova, Zuzana Sochorova, Pluharova, Eva, JOURNAL OF MOLECULAR LIQUIDS, Volume: 288, 2019, DOI: 10.1016/j.
Exploration of selected electronic characteristics of half-sandwich organoruthenium(II) beta-diketonate complexes, Vokacova, Zuzana Sochorova, Turel, Iztok, Burda, Jaroslav V., JOURNAL OF MOLECULAR MODELING, Volume: 24, 2018, Issue: 4, DOI: 10.1007/s00894-018-3598-7,