Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

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True Bioisosteres - Structural and Thermodynamic Classification of Molecular Fragments for Ligand Design

2021/42/E/ST4/00229

Keywords:

binding constant entropy enthalpy water solvation shape electrostatic hydrophobic effect interactions

Descriptors:

  • ST4_3: Molecular architecture and structure

Panel:

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

Host institution :

Uniwersytet Warszawski, Wydział Chemii

woj.

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Maura Dagmara Malińska 

Number of co-investigators in the project: 5

Call: SONATA BIS 11 - announced on 2021-06-15

Amount awarded: 3 523 739 PLN

Project start date (Y-m-d): 2022-07-01

Project end date (Y-m-d): 2027-06-30

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 (6)
  1. SupramolecularSynthonsin Protein−LigandFrameworks
    Authors:
    Ronan J. Flood, Niamh M. Mockler, Aurélien Thureau, Maura Malinska, and Peter B. Crowley
    Academic press:
    Crystal Growth & Design (rok: 2024, tom: 24, strony: 2149-2156), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.cgd.3c01480 - link to the publication
  2. Preferential Crystallization of tert-Butyl-calix[6]arene Chlorobenzene Solvate from a Solvent Mixture
    Authors:
    Ewelina Zaorska, Marcin Stachowicz, Maura Malinska
    Academic press:
    Crystal Growth & Design (rok: 2023, tom: 23, strony: 3455-3462), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.cgd.3c00007 - link to the publication
  3. Cucurbit[7]uril-mediated Histidine Dimerization: Exploring the Structure and Binding Mechanism
    Authors:
    Ewlina Zaorska, Maura Malinska
    Academic press:
    Chemistry – A European Journal (rok: 2023, tom: n/a, strony: e202302250), Wydawca: Wiley Online Library
    Status:
    Published
    DOI:
    10.1002/chem.202302250 - link to the publication
  4. Understanding the selectivity of nonsteroidal anti-inflammatory drugs for cyclooxygenases using quantum crystallography and electrostatic interaction energy
    Authors:
    Sylwia Pawlędzio, Marcin Ziemniak, Xiaping Wang, Krzysztof Woźniak, Maura Malinska
    Academic press:
    IUCrJ (rok: 2025, tom: 12, strony: 45672), Wydawca: International Union of Crystallography
    Status:
    Published
    DOI:
    10.1107/S2052252525000053 - link to the publication
  5. Cucurbit[7]uril-mediated Histidine Dimerization: Exploring the Structure and Binding Mechanism
    Authors:
    Ewlina Zaorska, Maura Malinska
    Academic press:
    Chemistry – A European Journal (rok: 2023, tom: n/a, strony: e202302250), Wydawca: Wiley Online Library
    Status:
    Published
    DOI:
    10.1002/chem.202302250 - link to the publication
  6. SupramolecularSynthonsin Protein−LigandFrameworks
    Authors:
    Ronan J. Flood, Niamh M. Mockler, Aurélien Thureau, Maura Malinska, and Peter B. Crowley
    Academic press:
    Crystal Growth & Design (rok: 2024, tom: 24, strony: 2149-2156), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.cgd.3c01480 - link to the publication

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