Projects funded by the NCN
Molecular modeling of allosteric binding and allosteric-orthosteric coupling in cannabinoid receptor CB1
2016/23/N/NZ1/02960
Keywords:
Molecular dynamics GPCR CB1 cannabinoid receptor Allosteric modulation REMD Simulated annealing
Descriptors:
- NZ2_10: Biological systems analysis, modelling and simulation
- NZ1_1: Molecular biology
- NZ3_7: Signal transduction
Panel:
NZ1 - Molecular biology, structural biology, biotechnology: molecular biology, structural biology, biotechnology
Host institution :
Uniwersytet Warszawski, Wydział Chemii
woj. 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 (Y-m-d): 2017-07-12
Project end date (Y-m-d): 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 (1 392 PLN)
Information in the final report
- Publication in academic press/journals (2)
- The hydrophobic ligands entry and exit from the GPCR binding site - SMD and SuMD simulationsAuthors:Jakub Jakowiecki, Urszula Orzeł, Sathapana Chawananon, Przemysław Miszta, Sławomir FilipekAcademic press:Molecules (rok: 2020, tom: 25(8), strony: 1930), Wydawca: MDPIStatus:PublishedDOI:10.3390/molecules25081930 - link to the publication
- Allosteric modulation of CB1 cannabinoid receptor by cannabidiol – molecular modeling of the N terminal domain and the allosteric-orthosteric couplingAuthors:Jakub Jakowiecki, Renata Abel, Urszula Orzeł, Paweł Pasznik, Robert Preissner, Sławomir FilipekAcademic press:Molecules (rok: 2021, tom: 26, strony: 2456), Wydawca: MDPIStatus:PublishedDOI:10.3390/molecules26092456 - link to the publication