Effects of single atom modifications on protein-ligand interactions studied using Markov state modeling

被引:0
|
作者
Sharma, Sumit [1 ]
Mehrani, Ramin [2 ]
Mondal, Jagannath [3 ]
机构
[1] Ohio Univ, Dept Chem & Biomol Engn, Athens, OH USA
[2] Ohio Univ, Athens, OH USA
[3] TIFR Ctr Interdisciplinary Sci Tata Inst Fundamen, Hyderabad, India
关键词
D O I
暂无
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
2650-Pos
引用
收藏
页码:474A / 474A
页数:1
相关论文
共 50 条
  • [31] Enzyme-intermediates and protein-ligand interactions by solid-state NMR
    Evans, JNS
    BIOPHYSICAL JOURNAL, 1998, 74 (02) : A129 - A129
  • [32] Modulating protein-ligand interactions in chromatography using ligand chemistry and fluid phase conditions
    Parimal, Siddharth
    Woo, James
    Garde, Shekhar
    Cramer, Steven M.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 247
  • [33] Weak protein-ligand interactions studied by small-angle X-ray scattering
    Tuukkanen, Anne T.
    Svergun, Dmitri I.
    FEBS JOURNAL, 2014, 281 (08) : 1974 - 1987
  • [34] Using molecular docking and molecular dynamics to investigate protein-ligand interactions
    Morris, Connor J.
    Della Corte, Dennis
    MODERN PHYSICS LETTERS B, 2021, 35 (08):
  • [35] Decoding the protein-ligand interactions using parallel graph neural networks
    Knutson, Carter
    Bontha, Mridula
    Bilbrey, Jenna A.
    Kumar, Neeraj
    SCIENTIFIC REPORTS, 2022, 12 (01)
  • [36] Layer-wise relevance propagation of InteractionNet explains protein-ligand interactions at the atom level
    Cho, Hyeoncheol
    Lee, Eok Kyun
    Choi, Insung S.
    SCIENTIFIC REPORTS, 2020, 10 (01)
  • [37] Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing the Length of an Alkyl Chain
    Myslinski, James M.
    Clements, John H.
    DeLorbe, John E.
    Martin, Stephen F.
    ACS MEDICINAL CHEMISTRY LETTERS, 2013, 4 (11): : 1048 - 1053
  • [38] Studying protein-ligand interactions by integrating data science with mechanism-based modeling
    Xie, Lei
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254
  • [39] Screening protein-ligand interactions using 1H NMR techniques for detecting the ligand
    Figueiredo, Isis Martins
    Marsaioli, Anita Jocelyne
    QUIMICA NOVA, 2007, 30 (07): : 1597 - 1605
  • [40] Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Nonpolar Surface Area
    Myslinski, James M.
    DeLorbe, John E.
    Clements, John H.
    Martin, Stephen F.
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2011, 133 (46) : 18518 - 18521