Projects funded by the NCN
Computational study of physicochemical properties of fragment bacterial ribosome and enzymes in the bounding places of lincosamides using computational modelling methods
2013/09/N/ST4/00932
Keywords:
lincosamides ribosome physicochemical properties computer modelling quantum-classical molecular dynamics
Descriptors:
- ST4_13: Solid-state chemistry, surface physicochemistry
- NZ2_10: Biological systems analysis, modelling and simulation
- ST4_15: Colloid chemistry
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Uniwersytet Warszawski, Interdyscyplinarne Centrum Modelowania Matematycznego i Komputerowego
woj. mazowieckie
Principal investigator (from the host institution):
dr Katarzyna Kulczycka-Mierzejewska
Number of co-investigators in the project: 2
Call: PRELUDIUM 5 - announced on 2013-03-15
Amount awarded: 150 000 PLN
Project start date (Y-m-d): 2014-02-21
Project end date (Y-m-d): 2017-06-20
Project duration:: 40 months (the same as in the proposal)
Project status: Project settled
Equipment purchased [PL]
- komputer przenośny typu laptop (6 200 PLN)
- dysk twardy (macierz dyskowa) (5 szt.) (6 000 PLN)
Information in the final report
- Publication in academic press/journals (2)
- Articles in post-conference publications (1)
- Conformational space of clindamycin studied by quantum and full-atom molecular dynamicsAuthors:Katarzyna Kulczycka-Mierzejewska, Joanna Trylska, Joanna SadlejAcademic press:Journal of Molecular Modeling (rok: 2016, tom: 0,930555555555555, strony: 45302), Wydawca: Springer Berlin HeidelbergStatus:PublishedDOI:10.1007/s00894-015-2881-0 - link to the publication
- Molecular dynamics simulations suggest why the A2058G mutation in 23S RNA results in bacterial resistance against clindamycinAuthors:Katarzyna Kulczycka-Mierzejewska, Joanna Sadlej, Joanna TrylskaAcademic press:Journal of Molecular Modeling (rok: 2018, tom: 24:191, strony: 45303), Wydawca: Springer Berlin HeidelbergStatus:PublishedDOI:10.1007/s00894-018-3689-5 - link to the publication
- Interactions of clindamycin with the fragment of ribosome – quantum mechanics/molecular mechanics studyAuthors:Katarzyna Kulczycka-Mierzejewska, Joanna Trylska, Joanna SadlejConference:XXI International Conference on "Horizons in Hydrogen Bond Research (rok: 2015, ), Wydawca: Uniwersytet WrocławskiData:konferencja 13-18.09.2015Status:Published