Intermolecular interactions between nanolayers of calcium-silicatae-hydrates using free energy perturbation method

被引：0
|
作者：
Masoumi, Saeed [2 ]
Morshedifar, Ali [1 ]
Qomi, Mohammad Javad Abdolhosseini [1 ]
机构：
[1] UC Irvine, Irvine, CA USA
[2] UNSW Australia, Civil Engn, Sydney, NSW, Australia
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2017年 / 253卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
323
引用
收藏
页数：1
相关论文
共 48 条
  • [1] Intermolecular Forces between Nanolayers of Crystalline Calcium-Silicate-Hydrates in Aqueous Medium
    Masoumi, Saeed
    Valipour, Hamid
    Qomi, Mohammad Javad Abdolhosseini
    JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 121 (10): : 5565 - 5572
  • [2] Estimation of the Gibbs Free Energy for Calcium Aluminate Sulphate Hydrates Using Iterative Least Squares Regression Method
    Wu, Xianxi
    Lan, Jun
    Jiang, Hongshi
    4TH ANNUAL INTERNATIONAL WORKSHOP ON MATERIALS SCIENCE AND ENGINEERING (IWMSE2018), 2018, 381
  • [3] Decomposition of the solvation free energies of deoxyribonucleoside triphosphates using the free energy perturbation method
    Bren, Urban
    Martinek, Vaclav
    Florian, Jan
    JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (25): : 12782 - 12788
  • [4] Free energy grids: A practical qualitative application of free energy perturbation to ligand design using the OWFEG method
    Pearlman, DA
    JOURNAL OF MEDICINAL CHEMISTRY, 1999, 42 (21) : 4313 - 4324
  • [5] Parameterization of Molybdenum Disulfide Interacting with Water Using the Free Energy Perturbation Method
    Zhang, Leili
    Luang, Binquan
    Zhou, Ruhong
    JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 123 (34): : 7243 - 7252
  • [6] Absolute free energy calculations for the interactions of FKBP with ligands using the GSBP method
    Wang, JY
    Roux, B
    BIOPHYSICAL JOURNAL, 2005, 88 (01) : 517A - 517A
  • [7] Probing the effects of N-methylation on peptide-protein interactions using alchemical free energy perturbation
    Hurley, Matthew
    Wakefield, Amanda
    Voelz, Vincent
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 252
  • [8] Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data
    Valsson, Isak
    Warren, Matthew T.
    Deane, Charlotte M.
    Magarkar, Aniket
    Morris, Garrett M.
    Biggin, Philip C.
    COMMUNICATIONS CHEMISTRY, 2025, 8 (01):
  • [9] Calculation of the relative binding free energy of three inhibitors of the photosynthetic reaction center of Rhodopseudomonas viridis using the molecular dynamics/free energy perturbation method
    1600, (114):
  • [10] Probing intermolecular protein-protein interactions in the calcium-sensing receptor homodimer using bioluminescence resonance energy transfer (BRET)
    Jensen, AA
    Hansen, JL
    Sheikh, SP
    Bräuner-Osborne, H
    EUROPEAN JOURNAL OF BIOCHEMISTRY, 2002, 269 (20): : 5076 - 5087
12345