Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

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Development of tools for the rational design of peptide therapeutics

2020/39/B/NZ2/01301

Keywords:

drug design structural bioinformatics protein-peptide docking coarse-grained modeling multiscale modeling

Descriptors:

  • NZ2_10: Biological systems analysis, modelling and simulation
  • NZ2_8: Computational biology
  • NZ2_7: Bioinformatics

Panel:

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

Host institution :

Uniwersytet Warszawski, Centrum Nauk Biologiczno-Chemicznych

woj.

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr hab. Sebastian Kmiecik 

Number of co-investigators in the project: 6

Call: OPUS 20 - announced on 2020-09-15

Amount awarded: 1 867 576 PLN

Project start date (Y-m-d): 2021-07-07

Project end date (Y-m-d): 2025-07-06

Project duration:: 48 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 (7)
  1. Protein–Protein Docking with Large-Scale Backbone Flexibility Using Coarse-Grained Monte-Carlo Simulations
    Authors:
    Kurcinski, M.; Kmiecik, S.; Zalewski, M.; Kolinski, A.
    Academic press:
    International Journal of Molecular Sciences (rok: 2021, tom: 22, strony: 7341), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/ijms22147341 - link to the publication
  2. Structure prediction of linear and cyclic peptides using CABS-flex
    Authors:
    Aleksandra Badaczewska-Dawid, Karol Wróblewski, Mateusz Kurcinski, Sebastian Kmiecik
    Academic press:
    Briefings in bioinformatics (rok: 2024, tom: 25, 2, strony: 45665), Wydawca: Oxford Academic
    Status:
    Published
    DOI:
    10.1093/bib/bbae003 - link to the publication
  3. MAPIYA contact map server for identification and visualization of molecular interactions in proteins and biological complexes.
    Authors:
    Badaczewska-Dawid A.E., Chandran N., Wróblewski K., Kurcinski M, Kmiecik S.
    Academic press:
    Nucleic Acids Research (rok: 2022, tom: 50, strony: W474–W482), Wydawca: Oxford University Press
    Status:
    Published
    DOI:
    10.1093/nar/gkac307 - link to the publication
  4. A3D database: structure-based predictions of protein aggregation for the human proteome
    Authors:
    Badaczewska-Dawid A.E., Garcia-Pardo J.,Kuriata A., Pujols J., Ventura S., Kmiecik S.
    Academic press:
    Biorxiv (rok: 2021, tom: -, strony: -), Wydawca: -
    Status:
    Published
    DOI:
    10.1101/2021.11.17.468872 - link to the publication
  5. MAPIYA contact map server for identification and visualization of molecular interactions in proteins and biological complexes.
    Authors:
    Badaczewska-Dawid A.E., Chandran N., Wróblewski K., Kurcinski M, Kmiecik S.
    Academic press:
    Nucleic Acids Research (rok: 2022, tom: 50, strony: W474–W482), Wydawca: Oxford University Press
    Status:
    Published
    DOI:
    10.1093/nar/gkac307 - link to the publication
  6. A3D database: structure-based predictions of protein aggregation for the human proteome
    Authors:
    Badaczewska-Dawid A.E., Garcia-Pardo J.,Kuriata A., Pujols J., Ventura S., Kmiecik S.
    Academic press:
    Biorxiv (rok: 2021, tom: -, strony: -), Wydawca: -
    Status:
    Published
    DOI:
    10.1101/2021.11.17.468872 - link to the publication
  7. Protein–Protein Docking with Large-Scale Backbone Flexibility Using Coarse-Grained Monte-Carlo Simulations
    Authors:
    Kurcinski, M.; Kmiecik, S.; Zalewski, M.; Kolinski, A.
    Academic press:
    International Journal of Molecular Sciences (rok: 2021, tom: 22, strony: 7341), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/ijms22147341 - link to the publication

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