Projects funded by the NCN
Modeling phosphorylation by human thymidine kinase 1. A crucial step in the rational design of thymidine-analogue radiosensitizers.
2018/29/N/ST4/00507
Keywords:
thymidine kinase hTK1 mechanism molecular modeling phosphorylation QM/MM ONIOM MD
Descriptors:
- ST4_14: Catalysis
- ST4_15: Colloid chemistry
- ST4_13: Solid-state chemistry, surface physicochemistry
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
Principal investigator (from the host institution):
Number of co-investigators in the project: 2
Call: PRELUDIUM 15 - announced on 2018-03-15
Amount awarded: 179 184 PLN
Project start date (Y-m-d): 2019-01-15
Project end date (Y-m-d): 2025-01-14
Project duration:: 36 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 (1)
- Inactive-to-Active Transition of Human Thymidine Kinase 1 Revealed by Molecular Dynamics SimulationsAuthors:Samanta Makurat, Zoe Cournia, Janusz RakAcademic press:J. Chem. Inf. Model. (rok: 2022, tom: 62, strony: 142-149), Wydawca: ACS PublicationsStatus:PublishedDOI:10.1021/acs.jcim.1c01157 - link to the publication