Unraveling the allosteric activation of GPCR using metadynamics and deep learning

被引:0
|
作者
Ghorbani, Mahdi [1 ]
Prasad, Samarjeet [2 ]
Brooks, Bernard R. [2 ]
Klauda, Jeffery B. [1 ]
机构
[1] Univ Maryland, Dept Chem & Biomol Engn, College Pk, MD USA
[2] NHLBI, NIH, Bethesda, MD USA
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
1383-Plat
引用
收藏
页码:286A / 286A
页数:1
相关论文
共 50 条
  • [1] Unraveling the structural basis of GPCR activation and inactivation
    Michel Bouvier
    Nature Structural & Molecular Biology, 2013, 20 : 539 - 541
  • [2] Unraveling the structural basis of GPCR activation and inactivation
    Bouvier, Michel
    NATURE STRUCTURAL & MOLECULAR BIOLOGY, 2013, 20 (05) : 539 - 541
  • [3] Synergic Effects in the Activation of the Sweet Receptor GPCR Heterodimer for Various Sweeteners Predicted Using Molecular Metadynamics Simulations
    Jang, Jaewan
    Kim, Soo-Kyung
    Guthrie, Brian
    Goddard, William A., III
    JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2021, 69 (41) : 12250 - 12261
  • [4] Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling
    White, Kate L.
    Eddy, Matthew T.
    Gao, Zhan-Guo
    Han, Gye Won
    Lian, Tiffany
    Deary, Alexander
    Patel, Nilkanth
    Jacobson, Kenneth A.
    Katritch, Vsevolod
    Stevens, Raymond C.
    STRUCTURE, 2018, 26 (02) : 259 - +
  • [5] Optimizing biophysical predictor selection for katanin allosteric transitions via metadynamics and machine learning
    Kelly, Maria S.
    Capelli, Riccardo
    Kahawatte, Shehani
    Wijethunga, Hesaree
    Carloni, Paolo
    Dima, Ruxandra I.
    BIOPHYSICAL JOURNAL, 2024, 123 (03) : 273A - 273A
  • [6] Allosteric communication between protomers of dopamine class A GPCR dimers modulates activation
    Han, Yang
    Moreira, Irina S.
    Urizar, Eneko
    Weinstein, Harel
    Javitch, Jonathan A.
    NATURE CHEMICAL BIOLOGY, 2009, 5 (09) : 688 - 695
  • [7] Allosteric communication between protomers of dopamine class A GPCR dimers modulates activation
    Yang Han
    Irina S Moreira
    Eneko Urizar
    Harel Weinstein
    Jonathan A Javitch
    Nature Chemical Biology, 2009, 5 : 688 - 695
  • [8] Orthosteric versus allosteric GPCR activation: The great challenge of group-III mGluRs
    Flor, Peter J.
    Acher, Francine C.
    BIOCHEMICAL PHARMACOLOGY, 2012, 84 (04) : 414 - 424
  • [9] Mechanism of Allosteric Communication in GPCR Activation from Microsecond Scale Molecular Dynamics Simulations
    Bhattacharya, Supriyo
    Vaidehi, Nagarajan
    BIOPHYSICAL JOURNAL, 2017, 112 (03) : 498A - 499A
  • [10] Allosteric ligands control the activation of a class C GPCR heterodimer by acting at the transmembrane interface
    Liu, Lei
    Fan, Zhiran
    Rovira, Xavier
    Xue, Li
    Roux, Salome
    Brabet, Isabelle
    Xin, Mingxia
    Pin, Jean-Philippe
    Rondard, Philippe
    Liu, Jianfeng
    ELIFE, 2021, 10