STRUCTURE DETERMINATION AT HIGH PRESSURES FROM MOLECULAR DYNAMICS SIMULATIONS

被引：0
|
作者：
Sikka, S. K. [1 ]
Sharma, Surinder M. [1 ]
Chidambaram, R. [1 ]
机构：
[1] Bhabha Atom Res Ctr, High Pressure Phys Div, Bombay 400085, Maharashtra, India
来源：
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 1996年 / 52卷
关键词：
D O I：
10.1107/S0108767396081792
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
MS11.05b06
引用
收藏
页码：C443 / C443
页数：1
相关论文
共 50 条
  • [41] New insights into the structure of abasic DNA from molecular dynamics simulations
    Barsky, D
    Foloppe, N
    Ahmadia, S
    Wilson, DM
    MacKerell, AD
    NUCLEIC ACIDS RESEARCH, 2000, 28 (13) : 2613 - 2626
  • [42] Structure and properties of sodium aluminosilicate glasses from molecular dynamics simulations
    Xiang, Ye
    Du, Jincheng
    Smedskjaer, Morten M.
    Mauro, John C.
    JOURNAL OF CHEMICAL PHYSICS, 2013, 139 (04):
  • [43] Surface Structure of Hydroxyapatite from Simulated Annealing Molecular Dynamics Simulations
    Wu, Hong
    Xu, Dingguo
    Yang, Mingli
    Zhang, Xingdong
    LANGMUIR, 2016, 32 (18) : 4643 - 4652
  • [44] The role of phosphorylation on the structure and dynamics of phospholamban: A model from molecular simulations
    Pantano, Sergio
    Carafoli, Ernesto
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2007, 66 (04) : 930 - 940
  • [45] LiTFSI structure and transport in ethylene carbonate from molecular dynamics simulations
    Borodin, O
    Smith, GD
    JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (10): : 4971 - 4977
  • [46] Refining the structure of lipid bilayers with insight from molecular dynamics simulations
    Klauda, JB
    Pastor, RW
    Kucerka, N
    Brooks, BR
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 230 : U1391 - U1391
  • [47] Dynamic Structure Factors From Lipid Membrane Molecular Dynamics Simulations
    Brandt, Erik G.
    Edholm, Olle
    BIOPHYSICAL JOURNAL, 2009, 96 (03) : 354A - 354A
  • [48] MOLECULAR DYNAMIC SIMULATIONS OF SOLID NITROMETHANE UNDER HIGH PRESSURES
    Guo, Feng
    Zhang, Hong
    Cheng, Xinlu
    JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2010, 9 (01): : 315 - 325
  • [49] Structure Of Biomolecules Through Molecular Dynamics Simulations
    Arnittali, Maria
    Rissanou, Anastassia N.
    Harmandaris, Vagelis
    8TH INTERNATIONAL YOUNG SCIENTISTS CONFERENCE ON COMPUTATIONAL SCIENCE, YSC2019, 2019, 156 : 69 - 78
  • [50] Direct Determination of Discrete Harmonic Bath Parameters from Molecular Dynamics Simulations
    Walters, Peter L.
    Allen, Thomas C.
    Makri, Nancy
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 38 (02) : 110 - 115
12345