Binding of metal ions and water molecules to nucleic bases
Конференцијски прилог (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
nucleic base / metal / hydrogen bond / Protein Data Bank / quatum chemical calculationsИзвор:
Biologia Serbica, 2018, 40, 1, 98-98Издавач:
- Novi sad : Faculty of Sciences. Department of Biology and Ecology
Финансирање / пројекти:
- Нековалентне интеракције pi-система и њихова улога у молекулском препознавању (RS-MESTD-Basic Research (BR or ON)-172065)
Напомена:
- Belgrade BioInformatics Conference 2018 - BelBi 2018, Belgrade, Serbia, June 18-22, 2018, http://belbi2018.matf.bg.ac.rs/
- Poster: https://cer.ihtm.bg.ac.rs/handle/123456789/4862
Повезане информације:
- Повезани садржај
https://cer.ihtm.bg.ac.rs/handle/123456789/4862
URI
https://ojs.pmf.uns.ac.rs/index.php/dbe_serbica/issue/view/25/showTochttps://cer.ihtm.bg.ac.rs/handle/123456789/4861
Институција/група
IHTMTY - 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 .