Projects funded by the NCN

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Computational deciphering of pro-ferroptotic cell death protein machinery as a fundamental step in the search for therapeutic targets in pneumonia and cystic fibrosis

2022/46/E/ST4/00053

Keywords:

Lipoxygenase ferroptosis regulated cell death molecular dynamics inhibitors drug design cystic fibrosis bioinformatics

Descriptors:

ST4_009:
NZ2_010:
ST4_004:

Panel:

ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution :

Uniwersytet Mikołaja Kopernika w Toruniu, Wydział Fizyki, Astronomii i Informatyki Stosowanej

woj. kujawsko-pomorskie

Other projects carried out by the institution

Principal investigator (from the host institution):

dr hab. Karolina Anna Mikulska-Rumińska

Number of co-investigators in the project: 4

Call: SONATA BIS 12 - announced on 2022-05-15

Amount awarded: 2 480 920 PLN

Project start date (Y-m-d): 2023-05-16

Project end date (Y-m-d): 2028-05-15

Project duration:: 60 months (the same as in the proposal)

Project status: Pending project

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 (2)

InSty: a ProDy module for evaluating protein interactions and stability
Authors:
Karolina Mikulska-Ruminska, James M Krieger, Anupam Banerjee, Xin Cao, Gary Wu, Anthony T Bogetti, Feng Zhang, Carlos Simmerling, Evangelos A Coutsias, Ivet Bahar
Academic press:
Journal of Molecular Biology (rok: 2025, tom: -, strony: 169009), Wydawca: Academic Press
Status:
Published
DOI:
10.1016/j.jmb.2025.169009 - link to the publication
WatFinder: a ProDy tool for protein–water interactions
Authors:
James M Krieger, Frane Doljanin, Anthony T Bogetti, Feng Zhang, Thiliban Manivarma, Ivet Bahar, Karolina Mikulska-Ruminska
Academic press:
Bioinformatics (rok: 2024, tom: 40, strony: btae516), Wydawca: Oxford University Press
Status:
Published
DOI:
10.1093/bioinformatics/btae516 - link to the publication

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

Computational deciphering of pro-ferroptotic cell death protein machinery as a fundamental step in the search for therapeutic targets in pneumonia and cystic fibrosis

Project description

Information in the final report

O Narodowym Centrum Nauki

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Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

Computational deciphering of pro-ferroptotic cell death protein machinery as a fundamental step in the search for therapeutic targets in pneumonia and cystic fibrosis

Project description

Information in the final report

O Narodowym Centrum Nauki

Finansowanie nauki

Współpraca zagraniczna

Centrum prasowe

Partnerzy