Conformational analysis of cinhonine and cinhonidine by tensor decomposition of molecular dynamics trajectories
Full conformational space of cinchonine and cinchonidine has been investigated by means of statistical analysis of quantum chemical molecular dynamics simulations. Recently developed procedure comprising principal component analysis of molecular dynamics trajectories was applied on cinchonine and ci...
| Permalink: | http://skupnikatalog.nsk.hr/Record/nsk.NSK01001074260 |
|---|---|
| Matična publikacija: |
Croatica chemica acta (Online) 92 (2019), 2 ; str. 259-267 |
| Glavni autori: | Sović, Karlo (Author), Ostojić, Tea, Cepić, Sara, Ramić, Alma, Odžak, Renata, Skočibušić, Mirjana, Hrenar, Tomica, Primožič, Ines |
| Vrsta građe: | e-članak |
| Jezik: | eng |
| Predmet: | |
| Online pristup: |
https://doi.org/10.5562/cca3557 Hrčak |
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https://doi.org/10.5562/cca3557Hrčak