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Autor publikacji M. Novič
2011
Impact of mercury(II) on proteinase K catalytic center: investigations via classical and Born-Oppenheimer molecular dynamics.
Panek Jarosław J., Mazzarello R., Novič M., Jezierska-Mazzarello Aneta
2010
Counter propagation artificial neural network categorical models for prediction of carcinogenicity for non-congeneric chemicals.
Fjodorova N., Vračko Marjan, Jezierska Aneta, Novič M.
2010
Flexibility of a biotinylated ligand in artificial metalloenzymes based on streptavidin—an insight from molecular dynamics simulations with classical and ab initio force fields.
Panek Jarosław J., Ward T. R., Jezierska-Mazzarello Aneta, Novič M.
2010
Quantitative and qualitative models for carcinogenicity prediction for non-congeneric chemicals using CP ANN method for regulatory uses.
Fjodorova N., Vračko Marjan, Tušar M., Jezierska Aneta, Novič M., Kühne R., Schűűrmann G.
2009
Effects of tryptophan residue fluorination on streptavidin stability and biotin-streptavidin interactions via molecular dynamics simulations.
Panek Jarosław J., Ward T. R., Jezierska Aneta, Novič M.
2009
The nature of hydrogen bonding in selected hydrazide derivatives investigated via static models and Car-Parrinello molecular dynamics.
Jezierska Aneta, Novič M., Panek Jarosław J.
2007
Counter propagation artificial neural networks modeling of an enantioselectivity of artificial metalloenzymes.
Mazurek Sylwester, Ward T. R., Novič M.