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A virtual screening protocol based on automatically generated structure-based pharmacophore models.

2015/18/M/NZ2/00423

Keywords:

pharmacophore modelling molecular modelling virtual screening GPCR orphan receptors

Descriptors:

  • NZ2_7: Bioinformatics
  • ST6_13: Bioinformatics, biocomputing, DNA and molecular computation
  • NZ2_3: Proteomics

Panel:

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

Host institution :

Instytut Farmakologii PAN

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

Stefan Mordalski 

Number of co-investigators in the project: 7

Call: HARMONIA 7 - announced on 2015-06-15

Amount awarded: 289 200 PLN

Project start date (Y-m-d): 2016-04-12

Project end date (Y-m-d): 2020-12-11

Project duration:: 56 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.

Information in the final report

  • Publication in academic press/journals (3)
  1. GPCRdb in 2021: integrating GPCR sequence, structure and function
    Authors:
    Albert J Kooistra, Stefan Mordalski, Gáspár Pándy-Szekeres, Mauricio Esguerra, Alibek Mamyrbekov, Christian Munk, György M Keserű, David E Gloriam
    Academic press:
    Nucleic Acids Research (rok: 2021, tom: 49, strony: D335-D343), Wydawca: Oxford Academic
    Status:
    Published
    DOI:
    10.1093/nar/gkaa1080 - link to the publication
  2. The European Research Network on Signal Transduction (ERNEST): Toward a Multidimensional Holistic Understanding of G Protein-Coupled Receptor Signaling
    Authors:
    artha E. Sommer, Jana Selent, Jens Carlsson, Chris De Graaf, David E. Gloriam, Gyorgy M. Keseru, Mickey Kosloff, Stefan Mordalski, Aurelien Rizk, Mette M. Rosenkilde, Eddy Sotelo, Johanna K. S. Tiemann, Andrew Tobin, Nina Vardjan, Maria Waldhoer, Peter Kolb
    Academic press:
    ACS Pharmacology & Translational Science (rok: 2020, tom: 3, strony: 361-370), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acsptsci.0c00024 - link to the publication
  3. GPCRdb in 2018: adding GPCR structure models and ligands
    Authors:
    Pándy-Szekeres G, Munk C, Tsonkov TM, Mordalski S, Harpsøe K, Hauser AS, Bojarski AJ, Gloriam DE.
    Academic press:
    Nucleic Acids Research (rok: 2018, tom: 46(D1), strony: D440-D446), Wydawca: Oxford Academic
    Status:
    Published
    DOI:
    10.1093/nar/gkx1109 - link to the publication

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