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1. Incorporating Temperature Dependence of Side-Chain Interaction Potential into UNRES Force Field

Principal investigator: Mateusz Leśniewski

Uniwersytet Gdański

Call: PRELUDIUM 24, Panel: ST4

2. An integrated approach to modeling protein structure and dynamics based on the UNRES coarse-grained force field and bioi…

Principal investigator: dr hab. Cezary Ryszard Czaplewski

Uniwersytet Gdański, Wydział Chemii

Call: HARMONIA 9, Panel: ST4

3. Molecular mechanics force field for structure, dynamics and conformation of carbohydrates involving furanoses

Principal investigator: dr hab. Wojciech Płaziński

Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera PAN

Call: SONATA BIS 5, Panel: ST4

4. An integrated approach to the prediction of the structures of proteins and protein complexes with the use of the coarse-…

Principal investigator: prof. Józef Adam Liwo

Uniwersytet Gdański, Wydział Chemii

Call: HARMONIA 5, Panel: ST4

5. Enhancing resolution and predictive power of the UNRES force field for protein folding simulations by revision of the po…

Principal investigator: dr Adam Kazimierz Sieradzan

Uniwersytet Gdański, Wydział Chemii

Call: PRELUDIUM 1, Panel: ST4

6. Charge Sensitivity Approach to Polarizable Force Fields

Principal investigator: dr hab. Jacek Grzegorz Korchowiec

Uniwersytet Jagielloński, Wydział Chemii

Call: OPUS 1, Panel: ST4

7. Machine-learning a new generation of force fields for the atomistic simulations of RNA

Principal investigator: dr Miłosz Wieczór

Politechnika Gdańska

Call: OPUS 29, Panel: ST4

8. Refinement of the OPLS-AA force field parameters for selected phospholipids on the basis of quantum-mechanical calculati…

Principal investigator: dr Anna Wójcik-Augustyn

Uniwersytet Jagielloński, Wydział Biochemii, Biofizyki i Biotechnologii

Call: SONATA 9, Panel: ST4

9. Kerr response: experiment and molecular dynamics simulations on GPU with polarizable force field and explicit laser puls…

Principal investigator: dr Kamil Dawid Polok

Uniwersytet Warszawski, Wydział Chemii

Call: PRELUDIUM 5, Panel: ST4

10. Investigation of the impact of pulsed electric field on metabolism of selected fruits and vegetables

Principal investigator: Aleksandra Skarżyńska

Szkoła Główna Gospodarstwa Wiejskiego w Warszawie, Instytut Nauk o Żywności

Call: PRELUDIUM 21, Panel: NZ9

Principal investigator: prof. Józef Adam Liwo

Uniwersytet Gdański, Wydział Chemii

Call: OPUS 26, Panel: ST4

12. A unified coarse-grained model of biological macromolecules based on mean-field multipole-multipole interactions

Principal investigator: prof. Józef Adam Liwo

Uniwersytet Gdański, Wydział Chemii

Call: MAESTRO 3, Panel: ST4

13. A coarse-grained model of protein - nanoparticles interactions for simulating the transport of drug molecules to their t…

Principal investigator: dr Magdalena Anna Mozolewska

Uniwersytet Gdański, Wydział Chemii

Call: PRELUDIUM 9, Panel: ST4

14. DNA repair mechanisms: from coarse-grained to atomistic description

Principal investigator: dr Adam Kazimierz Sieradzan

Uniwersytet Gdański, Wydział Chemii

Call: SONATA 9, Panel: ST4

15. COGRIMEN 2.0 - a toolkit for coarse-grained and all-atom modeling of biomolecules in implicit environments

Principal investigator: prof. Sławomir Hubert Filipek

Uniwersytet Warszawski

Call: OPUS 29, Panel: ST4

16. Insight into the function of post-translational modifications of proteins via large-size scale and long-scale molecular …

Principal investigator: dr Agnieszka Gabriela Lipska

Politechnika Gdańska

Call: SONATA 19, Panel: ST4

17. Spectroscopic and microscopic techniques in nano-probing, modeling and recognition of interactions between erythrocytes …

Principal investigator: dr hab. Katarzyna Maria Marzec

Akademia Górniczo-Hutnicza im. Stanisława Staszica w Krakowie, Wydział Fizyki i Informatyki Stosowanej

Call: SONATA BIS 10, Panel: ST4

18. Computational study of protein folding and dimerization on the ribosome

Principal investigator: prof. Mai Suan Li

Instytut Fizyki PAN

Call: OPUS 18, Panel: ST4

19. Coarse-grained modeling of carbohydrates

Principal investigator: dr hab. Wojciech Sylwester Płaziński

Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera PAN

Call: OPUS 18, Panel: ST4

20. Mapping NARES-2P coarse-grained model of nucleic acids to all-atom representation

Principal investigator: Łukasz Golon

Uniwersytet Gdański, Wydział Chemii

Call: PRELUDIUM 14, Panel: ST4

21. Structures of oligomers of amyloid beta peptides: Multiscale molecular simulations.

Principal investigator: Dinh Quoc Huy Pham

Instytut Fizyki PAN

Call: PRELUDIUM 14, Panel: NZ1

22. Coarse-grain modeling of biochemical processes with proteins taking into account water and lipid molecules.

Principal investigator: dr Adam Sieradzan

Uniwersytet Gdański, Wydział Chemii

Call: OPUS 14, Panel: ST4

23. Computational approaches to study protein-glycosaminoglycan interactions

Principal investigator: dr Sergey Samsonov

Uniwersytet Gdański, Wydział Chemii

Call: POLONEZ 2, Panel: ST4

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

Principal investigator: dr Agnieszka Gabriela Lipska

Uniwersytet Gdański, Wydział Chemii

Call: PRELUDIUM 11, Panel: ST4

25. Interactions of amyloid beta peptides with metal ions and lipid membranes: Insights from lattice and all-atom simulation…

Principal investigator: prof. Mai Suan Li

Instytut Fizyki PAN

Call: OPUS 10, Panel: ST4

26. Extending the aspherical pseudoatom databank versatility with special attention on accurate description of electrostatic

Principal investigator: Sławomir Antoni Bojarowski

Uniwersytet Warszawski, Wydział Chemii

Call: PRELUDIUM 10, Panel: ST4

27. COGRIMEN - coarse-grained method for modeling of large biological systems in explicit environments

Principal investigator: prof. Sławomir Hubert Filipek

Uniwersytet Warszawski, Wydział Chemii

Call: OPUS 8, Panel: ST4

28. Structural changes of the alveolar membrane induced by lipid peroxidation and atmospheric pollutants: theoretical and ex…

Principal investigator: prof. Jacek Grzegorz Korchowiec

Uniwersytet Jagielloński, Wydział Chemii

Call: OPUS 7, Panel: ST4

29. Coarse-grained molecular dynamics of RNA thermometers at elevated temperatures

Principal investigator: Filip Karol Leonarski

Uniwersytet Warszawski, Centrum Nowych Technologii Uniwersytetu Warszawskiego

Call: PRELUDIUM 2, Panel: NZ2

30. Novel class of chiral ionic liquids with menthyl substituent - synthesis, characterisation and computer modelling of sur…

Principal investigator: dr Borys Szefczyk

Politechnika Wrocławska, Wydział Chemiczny

Call: OPUS 1, Panel: ST5

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