Hydrogen bond interactions between nucleic bases and water have been analyzed by surveying Protein Data Bank (PDB) and quantum chemical calculations, for the noncoordinated and coordinated water molecule. Python homemade script was used for the PDB search and Gaussian09 program was used for the calculations of interaction energy at MP2/def2-QZVP level on model systems. The results from PDB survey and from the calculations are in agreement:
hydrogen bonds are shorter and stronger when water is bonded to a metal ion.
Keywords:
nucleic base / metal / hydrogen bond / Protein Data Bank / quatum chemical calculations
Source:
Biologia Serbica, 2018, 40, 1, 98-98
Publisher:
Novi sad : Faculty of Sciences. Department of Biology and Ecology
TY - CONF
AU - Andrić, Jelena M.
AU - Stanković, Ivana
AU - Zarić, Snežana
PY - 2018
UR - https://ojs.pmf.uns.ac.rs/index.php/dbe_serbica/issue/view/25/showToc
UR - https://cer.ihtm.bg.ac.rs/handle/123456789/4861
AB - Hydrogen bond interactions between nucleic bases and water have been analyzed by surveying Protein Data Bank (PDB) and quantum chemical calculations, for the noncoordinated and coordinated water molecule. Python homemade script was used for the PDB search and Gaussian09 program was used for the calculations of interaction energy at MP2/def2-QZVP level on model systems. The results from PDB survey and from the calculations are in agreement:
hydrogen bonds are shorter and stronger when water is bonded to a metal ion.
PB - Novi sad : Faculty of Sciences. Department of Biology and Ecology
C3 - Biologia Serbica
T1 - Binding of metal ions and water molecules to nucleic bases
VL - 40
IS - 1
SP - 98
EP - 98
UR - https://hdl.handle.net/21.15107/rcub_cer_4861
ER -
@conference{
author = "Andrić, Jelena M. and Stanković, Ivana and Zarić, Snežana",
year = "2018",
abstract = "Hydrogen bond interactions between nucleic bases and water have been analyzed by surveying Protein Data Bank (PDB) and quantum chemical calculations, for the noncoordinated and coordinated water molecule. Python homemade script was used for the PDB search and Gaussian09 program was used for the calculations of interaction energy at MP2/def2-QZVP level on model systems. The results from PDB survey and from the calculations are in agreement:
hydrogen bonds are shorter and stronger when water is bonded to a metal ion.",
publisher = "Novi sad : Faculty of Sciences. Department of Biology and Ecology",
journal = "Biologia Serbica",
title = "Binding of metal ions and water molecules to nucleic bases",
volume = "40",
number = "1",
pages = "98-98",
url = "https://hdl.handle.net/21.15107/rcub_cer_4861"
}
Andrić, J. M., Stanković, I.,& Zarić, S.. (2018). Binding of metal ions and water molecules to nucleic bases. in Biologia Serbica
Novi sad : Faculty of Sciences. Department of Biology and Ecology., 40(1), 98-98.
https://hdl.handle.net/21.15107/rcub_cer_4861
Andrić JM, Stanković I, Zarić S. Binding of metal ions and water molecules to nucleic bases. in Biologia Serbica. 2018;40(1):98-98.
https://hdl.handle.net/21.15107/rcub_cer_4861 .
Andrić, Jelena M., Stanković, Ivana, Zarić, Snežana, "Binding of metal ions and water molecules to nucleic bases" in Biologia Serbica, 40, no. 1 (2018):98-98,
https://hdl.handle.net/21.15107/rcub_cer_4861 .
