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Research outputs

Spectroscopy-based modelling of the 3D structure of the β subunit of the high affinity IgE receptor   [2000]

Esposito, D.; Gibbons, W.A.; Zloh, M.  

Multiscale atomistic insights into interactions between PMMA and environmentally relevant β-blockers in an aqueous environment   [2026]

Krunic, Dusica; Armakovic, Stevan  ; Yang, Yang; Bilic, Andrijana; Pelemis, Svetlana S ; Armakovic, Sanja J  

Online and desktop graphical user interfaces for xtb programme from atomistica.online platform   [2024]

Armakovic, Stevan  ; Armakovic, Sanja J  

Applications of the ArgusLab4/AScore protocol in the structure-based binding affinity prediction of various inhibitors of group-1 and group-2 influenza virus neuraminidases (NAs)   [2009]

Mihajlović, Marija  ; Mitrašinović, Petar M.

Synthesis, structural, spectroscopic and docking studies on (E)-1-Ferrocenyl-3-phenyl­propen-1-one by the density functional theory   [2021]

AMALANATHAN M.; Michael Mary M.; BEATRICE M.; DELPHINE S.; ROBERT H.; Twinkle A.; Ratković, Zoran  ; Samson Y.

Another look at organic/metal (O/M) interfaces: correlation with experiment   [2008]

Mitrasinovic, Petar M

Atomistica.online–web application for generating input files for ORCA molecular modelling package made with the Anvil platform   [2022]

Armaković Stevan  ; Armaković Sanja  

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