Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Molecular mechanisms of the allosteric communication in thymidylate synthase

2017/27/N/NZ1/00716

Keywords:

molecular dynamics allosteric effects thymidylate synthase

Descriptors:

  • NZ2_10: Biological systems analysis, modelling and simulation
  • NZ2_7: Bioinformatics
  • NZ1_2: Biochemistry

Panel:

NZ1 - Molecular biology, structural biology, biotechnology: molecular biology, structural biology, biotechnology

Host institution :

Uniwersytet Warszawski, Centrum Nowych Technologii Uniwersytetu Warszawskiego

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Jan Ludwiczak 

Number of co-investigators in the project: 3

Call: PRELUDIUM 14 - announced on 2017-09-15

Amount awarded: 106 000 PLN

Project start date (Y-m-d): 2018-08-27

Project end date (Y-m-d): 2022-02-26

Project duration:: 42 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]

  1. Jednostka obliczeniowa (2 szt.) (23 000 PLN)
  2. Komputer przenośny.
  3. Komputer stacjonarny z monitorem.
  4. Program Amber (1 800 PLN)

Information in the final report

  • Publication in academic press/journals (2)
  1. Rossmann-toolbox: a deep learning-based protocol for the prediction and design of cofactor specificity in Rossmann fold proteins
    Authors:
    Kamil Kamiński, Jan Ludwiczak, Maciej Jasiński, Adriana Bukala, Rafal Madaj, Krzysztof Szczepaniak, Stanisław Dunin-Horkawicz
    Academic press:
    Briefings in Bioinformatics (rok: 2022, tom: 23, strony: 45302), Wydawca: Oxford University Press
    Status:
    Published
    DOI:
    10.1093/bib/bbab371 - link to the publication
  2. localpdb - a Python package to manage protein structures and their annotations
    Authors:
    Jan Ludwiczak, Aleksander Wiński, Stanisław Dunin-Horkawicz
    Academic press:
    Bioinformatics (rok: 2022, tom: -, strony: -), Wydawca: Oxford University Press
    Status:
    Published
    DOI:
    10.1093/bioinformatics/btac121 - link to the publication

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