Observations on the A versus B Equilibrium in Molecular Dynamics Simulations of Duplex DNA and RNA

被引：0
|
作者：
MacKerell, Jr., Alexander D. [1 ]
机构：
[1] Dept. of Pharmaceutical Sciences, School of Pharmacy, University of Maryland at Baltimore, 20 North Pine Street, Baltimore, MD 21201, United States
来源：
ACS Symposium Series | / 682卷
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：304 / 311
相关论文
共 50 条
  • [1] Observations on the a versus B equilibrium in molecular dynamics simulations of duplex DNA and RNA
    MacKerell, AD
    MOLECULAR MODELING OF NUCLEIC ACIDS, 1998, 682 : 304 - 311
  • [2] Calculation of Energy for RNA/RNA and DNA/RNA Duplex Formation by Molecular Dynamics Simulation
    Golyshev, V. M.
    Pyshnyi, D. V.
    Lomzov, A. A.
    MOLECULAR BIOLOGY, 2021, 55 (06) : 927 - 940
  • [3] Calculation of Energy for RNA/RNA and DNA/RNA Duplex Formation by Molecular Dynamics Simulation
    V. M. Golyshev
    D. V. Pyshnyi
    A. A. Lomzov
    Molecular Biology, 2021, 55 : 927 - 940
  • [4] Convergence and reproducibility in molecular dynamics simulations of the DNA duplex d(GCACGAACGAACGAACGC)
    Galindo-Murillo, Rodrigo
    Roe, Daniel R.
    Cheatham, Thomas E., III
    BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2015, 1850 (05): : 1041 - 1058
  • [5] Base Pair Fraying in Molecular Dynamics Simulations of DNA and RNA
    Zgarbova, Marie
    Otyepka, Michal
    Sponer, Jiri
    Lankas, Filip
    Jurecka, Petr
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 10 (08) : 3177 - 3189
  • [6] Convergence and reproducibility of the DNA duplex d(GCACGAACGAACGAACGC) using molecular dynamics simulations
    Galindo-Murillo, Rodrigo
    Cheatham, Thomas E., III
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2015, 33 : 83 - 84
  • [7] Competitive Binding of Cations to Duplex DNA Revealed through Molecular Dynamics Simulations
    Yoo, Jejoong
    Aksimentiev, Aleksei
    JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 116 (43): : 12946 - 12954
  • [8] Molecular dynamics simulations highlight the structural differences among DNA:DNA, RNA:RNA, and DNA:RNA hybrid duplexes
    Cheatham, TE
    Kollman, PA
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (21) : 4805 - 4825
  • [9] Abasic DNA: New observations from molecular dynamics simulations.
    Barsky, D
    Foloppe, N
    MacKerell, AD
    Wilson, DM
    Calvin, ME
    BIOPHYSICAL JOURNAL, 2000, 78 (01) : 262A - 262A
  • [10] Convergence and equilibrium in molecular dynamics simulations
    Ormeno, Franco
    General, Ignacio J.
    COMMUNICATIONS CHEMISTRY, 2024, 7 (01)
12345