Theoretical insights into the nature of intermolecular interactions in cytosine dimer

被引：12
|
作者：
Czyznikowska, Zaneta [2 ]
Zalesny, Robert [1 ,2 ]
机构：
[1] Wroclaw Univ Technol, Inst Phys & Theoret Chem, PL-50370 Wroclaw, Poland
[2] Natl Hellen Res Fdn, Inst Organ & Pharmaceut Chem, Athens 11635, Greece
来源：
BIOPHYSICAL CHEMISTRY | 2009年 / 139卷 / 2-3期
关键词：
Nature of intermolecular interactions; Stacking; Cytosine; Nucleic acid bases; LIMIT INTERACTION ENERGIES; DENSITY-FUNCTIONAL THEORY; NONEMPIRICAL AB-INITIO; ACID BASE-PAIRS; PERTURBATION-THEORY; STACKING INTERACTIONS; POTENTIAL-ENERGY; DECOMPOSITION; CCSD(T); MP2;
D O I：
10.1016/j.bpc.2008.11.001
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
In this study we discuss stacking interactions in cytosine dimer in conformations appearing in B-DNA crystals. The variational-perturbational scheme was applied for decomposition of the intermolecular interaction energy at the MP2 level of theory. The significant influence of the mutual orientation of cytosine monomers was observed not only on the total intermolecular interaction energy but also on its components: Different components of intermolecular interaction energy depend in different manner on parameters describing mutual orientation of cytosine monomers. (C) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码：137 / 143
页数：7
相关论文
共 50 条
  • [31] Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents
    Cysewski, Piotr
    Jelinski, Tomasz
    Przybylek, Maciej
    MOLECULES, 2024, 29 (08):
  • [32] Nature of -Cl...Cl- intermolecular interactions
    1600, Publ by ACS, Washington, DC, USA (116):
  • [33] Electron density characterisation of intermolecular interactions in the formaldehyde dimer and trimer
    Vila, A
    Graña, AM
    Mosquera, RA
    CHEMICAL PHYSICS, 2002, 281 (01) : 11 - 22
  • [34] Intermolecular interactions in the N2-N2 dimer
    Raugei, S
    Cardini, G
    Schettino, V
    MOLECULAR PHYSICS, 1998, 95 (03) : 477 - 481
  • [35] Crystal structures of claudins: insights into their intermolecular interactions
    Suzuki, Hiroshi
    Tani, Kazutoshi
    Fujiyoshi, Yoshinori
    ANNALS OF THE NEW YORK ACADEMY OF SCIENCES, 2017, 1397 (01) : 25 - 34
  • [36] Theoretical Study on the Intermolecular Interactions of Tetrazole Dimers
    ZHOU Su-Qin JU Xue-Hai② XIAO He-Ming (Department of Chemistry
    结构化学, 2005, (10) : 1203 - 1210
  • [37] Theoretical study on the intermolecular interactions of tetrazole dimers
    Zhou, SQ
    Ju, XH
    Xiao, HM
    CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2005, 24 (10) : 1203 - 1210
  • [38] Theoretical study of intermolecular interactions in meso-tetraphenylporphyrin diacid dimer (H4TPPCl2)2
    Ma, Yan-Ping
    He, Sheng-Gui
    Ding, Xun-Lei
    Wang, Zhe-Chen
    Xue, Wei
    Shi, Qiang
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (14) : 2543 - 2552
  • [39] Anions of the hydrogen-bonded guanine-cytosine dimer - theoretical study
    Smets, J
    Jalbout, AF
    Adamowicz, L
    CHEMICAL PHYSICS LETTERS, 2001, 342 (3-4) : 342 - 346
  • [40] A theoretical study on the intermolecular interaction of energetic system-Nitromethane dimer
    李金山
    肖鹤鸣
    董海山
    ChineseJournalofChemistry, 2000, (06) : 815 - 819
12345