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Investigation of the reactivity properties of a thiourea derivative with anticancer activity by DFT and MD simulations [2021]
Mary Y. Sheena; Mary Y. Shyma; Bielenica Anna; Armaković Stevan
; Armaković Sanja ; Chandramohan Vivek; Dammalli Manjunath
Docking studies suggest ligand-specific delta-opioid receptor conformations [2009]
Micovic, Vuk; Ivanović, Milovan; Došen-Mićović, Ljiljana
Active components of frequently used β-blockers from the aspect of computational study [2012]
Armaković, Stevan ; Armaković, Sanja ; Šetrajčić, Jovan ; Šetrajčić, Igor
A reexamination of the propensities of amino acids towards a particular secondary structure: classification of amino acids based on their chemical structure
[2008]
Malkov, Sasa N. ; Živković, Miodrag V.; Beljanski, Milos V. ; Hall, Michael B.; Zarić, Snežana D.
Theoretical investigation of loratadine reactivity in order to understand its degradation properties: DFT and MD study [2016]
Armaković, Stevan ; Armaković, Sanja ; Abramović, Biljana
The stacking interactions of bipyridine complexes: the influence of the metal ion type on the strength of interactions
[2016]
Sredojević, Dušan N. ; Petrović, Predrag ; Janjić, Goran V. ; Brothers, Edward N.; Hall, Michael B.; Zarić, Snežana D.
Computational and spectroscopic data correlation study of N,N '-bisarylmalonamides (Part II)
[2015]
Arsovski, Violeta M; Božić, Bojan ; Lađarević, Jelena ; Vitnik, Vesna ; Vitnik, Željko ; Petrović, Slobodan; Ušćumlić, Gordana ; Mijin, Dušan
Influence of hydrogen bonds on edge-to-face interactions between pyridine molecules
[2018]
Andrić, Jelena M. ; Antonijević, Ivana S. ; Janjić, Goran V. ; Zarić, Snežana D.
Triethanolammonium acetate as a multifunctional ionic liquid in the palladium-catalyzed green Heck reaction [2012]
Petrović, Zorica ; Markovic, Svetlana ; Petrović, Vladimir ; Simijonović, Dušica
In silico screening for antibiotic escort molecules to overcome efflux [2011]
Rahman, Sheikh S.; Simovic, Ivana; Gibbons, Simon; Zloh, Mire
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