Projects funded by the NCN


Information on the principal investigator and host institution

Information of the project and the call

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Coarse-grained modeling of the calcium, sodium, magnesium and potassium cations with proteins

2016/21/N/ST4/03154

Keywords:

coarse-grained force field metal cations proteins

Descriptors:

  • ST4_15: Colloid chemistry
  • ST6_13: Bioinformatics, biocomputing, DNA and molecular computation
  • ST4_7: Electrochemistry, microfluidics in chemistry, sensors

Panel:

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

Host institution :

Uniwersytet Gdański, Wydział Chemii

woj. pomorskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Agnieszka Lipska 

Number of co-investigators in the project: 2

Call: PRELUDIUM 11 - announced on 2016-03-15

Amount awarded: 69 400 PLN

Project start date (Y-m-d): 2017-02-27

Project end date (Y-m-d): 2020-02-26

Project duration:: 36 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. Komputer przenośny (5 000 PLN)
  2. Nod obliczeniowy (14 000 PLN)

Information in the final report

  • Publication in academic press/journals (2)
  1. Coarse-grained modeling of the calcium, sodium, magnesium and potassium cations interacting with proteins
    Authors:
    Agnieszka G. Lipska, Anna M. Antoniak, Patryk Wesołowski, Alan Warszawski, Sergey A. Samsonov, Adam K. Sieradzan
    Academic press:
    Journal of Molecular Modeling (rok: 2022, tom: 28, strony: 201), Wydawca: Springer
    Status:
    Published
    DOI:
    10.1007/s00894-022-05154-3 - link to the publication
  2. Shielding effect in protein folding
    Authors:
    Sieradzan A. K, Lipska A. G., Lubecka E. A
    Academic press:
    Journal of Molecular Graphics and Modelling (rok: 2018, tom: 79, strony: 118-132), Wydawca: Elesevier
    Status:
    Published