TY  - JOUR
AU  - Ninković, Dragan
AU  - Andrić, Jelena M.
AU  - Malkov, Sasa N.
AU  - Zarić, Snežana D.
PY  - 2014
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1783
AB  - The data from protein structures from the Protein Data Bank and quantumchemical calculations indicate the importance of aromatic-aromatic interactions at large horizontal displacements (offsets). The protein stacking interactions of the phenylalanine residue show preference for large offsets (3.5-5.0), while the calculations show substantially strong interactions, of about -2.0 kcal mol(-1).
PB  - Royal Soc Chemistry, Cambridge
T2  - Physical Chemistry Chemical Physics
T1  - What are the preferred horizontal displacements of aromatic-aromatic interactions in proteins? Comparison with the calculated benzene-benzene potential energy surface
VL  - 16
IS  - 23
SP  - 11173
EP  - 11177
DO  - 10.1039/c3cp54474e
ER  - 

@article{
author = "Ninković, Dragan and Andrić, Jelena M. and Malkov, Sasa N. and Zarić, Snežana D.",
year = "2014",
abstract = "The data from protein structures from the Protein Data Bank and quantumchemical calculations indicate the importance of aromatic-aromatic interactions at large horizontal displacements (offsets). The protein stacking interactions of the phenylalanine residue show preference for large offsets (3.5-5.0), while the calculations show substantially strong interactions, of about -2.0 kcal mol(-1).",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Physical Chemistry Chemical Physics",
title = "What are the preferred horizontal displacements of aromatic-aromatic interactions in proteins? Comparison with the calculated benzene-benzene potential energy surface",
volume = "16",
number = "23",
pages = "11173-11177",
doi = "10.1039/c3cp54474e"
}

Ninković, D., Andrić, J. M., Malkov, S. N.,& Zarić, S. D.. (2014). What are the preferred horizontal displacements of aromatic-aromatic interactions in proteins? Comparison with the calculated benzene-benzene potential energy surface. in Physical Chemistry Chemical Physics
Royal Soc Chemistry, Cambridge., 16(23), 11173-11177.
https://doi.org/10.1039/c3cp54474e

Ninković D, Andrić JM, Malkov SN, Zarić SD. What are the preferred horizontal displacements of aromatic-aromatic interactions in proteins? Comparison with the calculated benzene-benzene potential energy surface. in Physical Chemistry Chemical Physics. 2014;16(23):11173-11177.
doi:10.1039/c3cp54474e .

Ninković, Dragan, Andrić, Jelena M., Malkov, Sasa N., Zarić, Snežana D., "What are the preferred horizontal displacements of aromatic-aromatic interactions in proteins? Comparison with the calculated benzene-benzene potential energy surface" in Physical Chemistry Chemical Physics, 16, no. 23 (2014):11173-11177,
https://doi.org/10.1039/c3cp54474e . .

TY  - DATA
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Janjić, Goran V.
AU  - Ninković, Dragan
AU  - Kapor, Agnes
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3555
PB  - Royal Soc Chemistry, Cambridge
T2  - CrystEngComm
T1  - Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3555
ER  - 

@misc{
author = "Vojislavljević-Vasilev, Dubravka and Janjić, Goran V. and Ninković, Dragan and Kapor, Agnes and Zarić, Snežana D.",
year = "2013",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "CrystEngComm",
title = "Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3555"
}

Vojislavljević-Vasilev, D., Janjić, G. V., Ninković, D., Kapor, A.,& Zarić, S. D.. (2013). Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e. in CrystEngComm
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3555

Vojislavljević-Vasilev D, Janjić GV, Ninković D, Kapor A, Zarić SD. Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e. in CrystEngComm. 2013;.
https://hdl.handle.net/21.15107/rcub_cherry_3555 .

Vojislavljević-Vasilev, Dubravka, Janjić, Goran V., Ninković, Dragan, Kapor, Agnes, Zarić, Snežana D., "Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e" in CrystEngComm (2013),
https://hdl.handle.net/21.15107/rcub_cherry_3555 .

TY  - JOUR
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Janjić, Goran V.
AU  - Ninković, Dragan
AU  - Kapor, Agnes
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1602
AB  - The interactions between water molecules (non-coordinating and coordinating) and aromatic rings were studied by analyzing data in the Cambridge Structural Database and by quantum chemical calculations. The results show the influence of water coordination to a metal ion; interactions of coordinating water are stronger. The MP2/def2-QZVP interaction energies of non-coordinating water and neutral aqua complexes [ScCl3(H2O)(3)], [ZnCl2(H2O)(4)], [CdCl2(H2O)(4)], and [ZnCl2(H2O)(2)] with benzene molecule are -3.36, -5.10, -5.43, -6.86, and -5.14 kcal mol(-1), respectively. Interactions of charged aqua complexes [ZnCl(H2O)(5)](+) and [Zn(H2O)(6)](2+) are stronger, -9.69 and -13.96 kcal mol(-1), respectively. The calculations also reveal strong long-range interactions: at the distance of 3.0 angstrom the interaction energies of neutral complexes are in the range of -4.11 to -4.91 kcal mol(-1), while interaction energies of charged complexes are -6.37 and -10.76 kcal mol(-1).
PB  - Royal Soc Chemistry, Cambridge
T2  - CrystEngComm
T1  - The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion
VL  - 15
IS  - 11
SP  - 2099
EP  - 2105
DO  - 10.1039/c2ce25621e
ER  - 

@article{
author = "Vojislavljević-Vasilev, Dubravka and Janjić, Goran V. and Ninković, Dragan and Kapor, Agnes and Zarić, Snežana D.",
year = "2013",
abstract = "The interactions between water molecules (non-coordinating and coordinating) and aromatic rings were studied by analyzing data in the Cambridge Structural Database and by quantum chemical calculations. The results show the influence of water coordination to a metal ion; interactions of coordinating water are stronger. The MP2/def2-QZVP interaction energies of non-coordinating water and neutral aqua complexes [ScCl3(H2O)(3)], [ZnCl2(H2O)(4)], [CdCl2(H2O)(4)], and [ZnCl2(H2O)(2)] with benzene molecule are -3.36, -5.10, -5.43, -6.86, and -5.14 kcal mol(-1), respectively. Interactions of charged aqua complexes [ZnCl(H2O)(5)](+) and [Zn(H2O)(6)](2+) are stronger, -9.69 and -13.96 kcal mol(-1), respectively. The calculations also reveal strong long-range interactions: at the distance of 3.0 angstrom the interaction energies of neutral complexes are in the range of -4.11 to -4.91 kcal mol(-1), while interaction energies of charged complexes are -6.37 and -10.76 kcal mol(-1).",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "CrystEngComm",
title = "The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion",
volume = "15",
number = "11",
pages = "2099-2105",
doi = "10.1039/c2ce25621e"
}

Vojislavljević-Vasilev, D., Janjić, G. V., Ninković, D., Kapor, A.,& Zarić, S. D.. (2013). The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion. in CrystEngComm
Royal Soc Chemistry, Cambridge., 15(11), 2099-2105.
https://doi.org/10.1039/c2ce25621e

Vojislavljević-Vasilev D, Janjić GV, Ninković D, Kapor A, Zarić SD. The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion. in CrystEngComm. 2013;15(11):2099-2105.
doi:10.1039/c2ce25621e .

Vojislavljević-Vasilev, Dubravka, Janjić, Goran V., Ninković, Dragan, Kapor, Agnes, Zarić, Snežana D., "The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion" in CrystEngComm, 15, no. 11 (2013):2099-2105,
https://doi.org/10.1039/c2ce25621e . .