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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Structural determinants of optical control of insulin and neuroligin release by photoactive protein ligands.

2016/23/B/ST4/01770

Keywords:

molecular dynamics computational chemistry excited states photoisomerization photoactive proteins type II diabetes glioma

Descriptors:

  • ST4_15: Colloid chemistry
  • ST4_13: Solid-state chemistry, surface physicochemistry
  • ST4_4: Theoretical and computational chemistry

Panel:

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

Host institution :

Uniwersytet Mikołaja Kopernika, Wydział Fizyki, Astronomii i Informatyki Stosowanej

woj. kujawsko-pomorskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Wiesław Nowak 

Number of co-investigators in the project: 4

Call: OPUS 12 - announced on 2016-09-15

Amount awarded: 726 600 PLN

Project start date (Y-m-d): 2017-07-28

Project end date (Y-m-d): 2022-07-27

Project duration:: 60 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. Schroedinger Inc. software license (10 000 PLN)
  2. dyski na dane.
  3. notebook (8 632 PLN)
  4. mały klaster obliczeniowy (90 000 PLN)

Information in the final report

  • Publication in academic press/journals (6)
  1. Spacial models of malfunctioned protein complexes help to elucidate signal transduction critical for insulin release
    Authors:
    K.Walczewska-Szewc, W.Nowak
    Academic press:
    Biosystems (rok: 2019, tom: 177, strony: 48-55), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.biosystems.2018.11.001 - link to the publication
  2. Modeling of human and insect muscarinic receptors interac-2 tions with classical and bitopic photoactive ligands supports 3 design of prospective synergistic agents
    Authors:
    Beata Niklas, Bruno Lapied, Wieslaw Nowak
    Academic press:
    Molecules (rok: 2022, tom: 27, strony: 3280-3303), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/molecules27103280 - link to the publication
  3. Photo-Switchable Sulfonylureas Binding to ATP-Sensitive Potassium Channel Reveal the Mechanism of Light-Controlled Insulin Release
    Authors:
    Katarzyna Walczewska-Szewc and Wieslaw Nowak
    Academic press:
    The Journal of Physical Chemistry B (rok: 2021, tom: 125, strony: 13111–13121), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.1c07292 - link to the publication
  4. Structural determinants of insulin release: disordered N-terminal tail of Kir6.2 affects potassium channel dynamics through interactions with sulfonylurea binding region in SUR1 partner
    Authors:
    K.Walczewska-Szewc, W. Nowak
    Academic press:
    Journal of Physical Chemistry B (rok: 2020, tom: 124, strony: 6198-6211), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.0c02720 - link to the publication
  5. Structural insights into ATP-sensitive potassium channel mechanics: a role of intrinsically disordered regions
    Authors:
    Katarzyna Walczewska-Szewc, Wiesław Nowak
    Academic press:
    Journal of Chemical Information and Modeling (rok: 2022, tom: aaaa, strony: xx), Wydawca: American Chemical Society
    Status:
    Submitted
    DOI:
    10.1101/2022.08.03.502592 - link to the publication
  6. Finding Multiple Reaction Pathways of Ligand Unbinding
    Authors:
    J Rydzewski, O Valsson
    Academic press:
    Journal of Chemical Physics (rok: 2019, tom: 150, strony: 221101-221106), Wydawca: Americal Physical Society
    Status:
    Published
    DOI:
    10.1063/1.5108638 - link to the publication

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