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The mechanism of ligand binding and the conformational changes in the beta2-adrenergic receptor molecule

2013/09/D/NZ2/02992

Keywords

Descriptors

  • NZ2_10: Modelowanie i symulacje biologiczne
  • ST4_15: Chemia teoretyczna i obliczeniowa
  • NZ1_1: Biologia molekularna

Panel

NZ2 – Genetics, genomics: molecular genetics, genomics, proteomics, bioinformatics, systems biology, genetic epidemiology

Host institution

Uniwersytet Medyczny w Lublinie, Wydział Farmaceutyczny z Oddziałem Analityki Medycznej

Voivodeship: lubelskie

Other projects carried out by the institution »

Principal investigator (from the host institution)

dr Anita Płazińska

Number of co-investigators in the project: 5

Call

SONATA 5 – announced on 2013-03-15

Amount awarded
404 750 PLN
Project start date
2014-02-20
Project end date
2017-02-19
Project duration
36 months (the same as in the proposal)
Project status
Project settled

Equipment purchased [PL]

  1. Suszarka labolatoryjna.
  2. Chłodziarka laboratoryjna.
  3. Komputer stacjonarny z oprogramowaniem. Cost: 5 000 PLN
  4. Laptop z oprogramowaniem. Cost: 5 000 PLN
  5. Serwer (HPC). Cost: 17 486 PLN
  6. Wirówka laboratoryjna.
  7. Łaźnia ultradźwiękowa (myjka otnb/4/2015).

Information in the final report

Publication in academic press/journals (4)

  1. Fast, Metadynamics-Based Method for Prediction of the Stereochemistry-Dependent Relative Free Energies of Ligand–Receptor Interactions.

    Authors:
    Plazinska A., Plazinski W., Jozwiak K.
    Academic press:
    Journal of Computational Chemistry (year: 2014, volume: 35, pages: 876–882), Publisher: Wiley Online Library
    Status:
    Published
    DOI:
    10.1002/jcc.23563. – link to the publication

  2. Agonist binding by the β2-adrenergic receptor: an effect of receptor conformation on ligand association-dissociation characteristics.

    Authors:
    Plazinska A, Plazinski W, Jozwiak K.
    Academic press:
    European Biophysics Journal (year: 2015, volume: 44, pages: 149-163), Publisher: Springer
    Status:
    Published
    DOI:
    10.1007/s00249-015-1010-4 – link to the publication

  3. Stereoselective binding of agonists to the β2-adrenergic receptor: insights into molecular details and thermodynamics from molecular dynamics simulations.

    Authors:
    Plazinska A, Plazinski W.
    Academic press:
    Mol Biosyst. (year: 2017, volume: brak, pages: brak), Publisher: The Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c6mb00814c – link to the publication

  4. Ligand-induced action of the W2866.48 rotamer toggle switch in β2-adrenergic receptor

    Authors:
    Anita Plazinska, Wojciech Plazinski, Rafal Luchowski, Artur Wnorowski, Wojciech Grudzinski, Wieslaw I. Gruszecki
    Academic press:
    Physical Chemistry Chemical Physics (year: 2017, volume: 20, pages: 581-594), Publisher: Wiley
    Status:
    Published
    DOI:
    10.1002/jcc.23563 – link to the publication

Articles in post-conference publications (1)

  1. Binding affinities of Gi and Gs proteins to the beta2-adrenergic receptor: insights from the coarse-grained molecular dynamics simulations

    Authors:
    A. Plazinska, W. Plazinski, M. Kolinski
    Conference:
    The International Conference on Computational Modeling & Simulation (ICCMS-2017) (year: 2017, pages: 280-283), Publisher: Faculty of Science, University of Colombo
    Date:
    conference 17-19.05.2017
    Status:
    Published

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