Molecular modeling of allosteric binding and allosteric-orthosteric coupling in cannabinoid receptor CB1
2016/23/N/NZ1/02960
Keywords
Descriptors
- NZ2_10: Modelowanie i symulacje biologiczne
- NZ1_1: Biologia molekularna
- NZ3_7: Przekaźnictwo sygnału
Panel
NZ1 – Molecular biology, structural biology, biotechnology: molecular biology, structural biology, biotechnology
Host institution
Uniwersytet Warszawski, Wydział Chemii
Voivodeship: mazowieckie
Principal investigator (from the host institution)
Number of co-investigators in the project: 2
Call
PRELUDIUM 12 – announced on 2016-09-15
- Amount awarded
- 99 200 PLN
- Project start date
- 2017-07-12
- Project end date
- 2020-10-11
- Project duration
- 39 months (the same as in the proposal)
- Project status
- Project settled
Project description
Download the project description in a pdf file
Note — project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.
Equipment purchased [PL]
- Stacja robocza GPU. Cost: 1 392 PLN
Information in the final report
Publication in academic press/journals (2)
-
Allosteric modulation of CB1 cannabinoid receptor by cannabidiol – molecular modeling of the N terminal domain and the allosteric-orthosteric coupling
- Authors:
- Jakub Jakowiecki, Renata Abel, Urszula Orzeł, Paweł Pasznik, Robert Preissner, Sławomir Filipek
- Academic press:
- Molecules (year: 2021, volume: 26, pages: 2456), Publisher: MDPI
- Status:
- Published
- DOI:
- 10.3390/molecules26092456 – link to the publication
-
The hydrophobic ligands entry and exit from the GPCR binding site - SMD and SuMD simulations
- Authors:
- Jakub Jakowiecki, Urszula Orzeł, Sathapana Chawananon, Przemysław Miszta, Sławomir Filipek
- Academic press:
- Molecules (year: 2020, volume: 25(8), pages: 1930), Publisher: MDPI
- Status:
- Published
- DOI:
- 10.3390/molecules25081930 – link to the publication