Projects funded by the NCN

New steroidal platinum complexes with potential application in medicine

Call: OPUS 8 , Panel: ST5

Principal investigator: prof. Rafał Siciński

Uniwersytet Warszawski, Wydział Chemii

New and efficient methods for the flexible molecular docking of proteins.

Call: MAESTRO 6 , Panel: ST6

Principal investigator: prof. Andrzej Koliński

Uniwersytet Warszawski, Wydział Chemii

Structure and reactivity of avidin-like proteins

Call: OPUS 5 , Panel: ST4

Principal investigator: dr Jarosław Panek

Uniwersytet Wrocławski, Wydział Chemii

Development of a tool for automatic evaluation of complexes of ligands with serotonin receptors based on the application...

Call: PRELUDIUM 5 , Panel: NZ2

Principal investigator: Sabina Podlewska

Instytut Farmakologii PAN

Modifications of aglycones of leucomycins via Michael addition and Huisgen dipolar cycloaddition as a new routes of synt...

Call: SONATA BIS 1 , Panel: ST5

Principal investigator: dr hab. Piotr Przybylski

Uniwersytet im. Adama Mickiewicza w Poznaniu, Wydział Chemii

New bioinformatics method for predicting ligand-binding sites in RNA structures

Call: PRELUDIUM 2 , Panel: NZ2

Principal investigator: dr Anna Philips

Uniwersytet im. Adama Mickiewicza, Wydział Biologii

Development of a new scoring function for models of protein-small molecule complexes and its use for studying the mechan...

Call: PRELUDIUM 2 , Panel: NZ2

Principal investigator: dr Irina Tuszyńska

Międzynarodowy Instytut Biologii Molekularnej i Komórkowej

Theoretical prediction, chemical synthesis and biological analysis of a novel class of HSPA5 inhibitors

Call: OPUS 25 , Panel: ST4

Principal investigator: prof. Arkadiusz Chworoś

Centrum Badań Molekularnych i Makromolekularnych Polskiej Akademii Nauk

New bioactive planar chiral ansa-ferrocenes conjugates with natural compounds - synthesis, enantioseparation, in vitro b...

Call: SONATINA 7 , Panel: ST5

Principal investigator: dr Maria Mazur

Sieć Badawcza ŁUKASIEWICZ - Instytut Chemii Przemysłowej imienia Profesora Ignacego Mościckiego

Allosteric regulation of cathepsins and procathepsins enzymatic activity by glycosaminoglycans and their mimetics

Call: SONATINA 7 , Panel: ST4

Principal investigator: dr Krzysztof Bojarski

Politechnika Gdańska, Wydział Chemiczny

New insights into the docking interactions between thioflavin T and misfolded proteins

Call: PRELUDIUM 2 , Panel: ST4

Principal investigator: Viktoria Babenko

Uniwersytet Warszawski, Wydział Chemii

The application of artificial intelligence to the discovery of new natural drugs with mechanisms aimed at lowering free ...

Call: PRELUDIUM 21 , Panel: NZ7

Principal investigator: Maciej Spiegel

Uniwersytet Medyczny im. Piastów Śląskich we Wrocławiu, Wydział Farmaceutyczny

Multi-scale method for amyloid fibril assembly using protofilament structures predicted by coarse-grained docking simula...

Call: OPUS 22 , Panel: NZ2

Principal investigator: dr Michał Koliński

Instytut Medycyny Doświadczalnej i Klinicznej im. Mirosława Mossakowskiego Polskiej Akademii Nauk

Stop the biting: tracking the insecticide-mediated allosteric changes in voltage-gated sodium channels and design of sel...

Call: PRELUDIUM 20 , Panel: NZ3

Principal investigator: Beata Niklas

Uniwersytet Mikołaja Kopernika w Toruniu, Wydział Fizyki, Astronomii i Informatyki Stosowanej

Blocking the TNF-TNFR2 interactions as a novel approach to the ovarian carcinoma treatment

Call: OPUS 21 , Panel: NZ7

Principal investigator: prof. Sylwia Rodziewicz-Motowidło

Uniwersytet Gdański, Wydział Chemii

Integrative methods for modeling protein-protein complexes and multimolecular assemblies

Call: SHENG 2 , Panel: NZ2

Principal investigator: dr hab. Sebastian Kmiecik

Uniwersytet Warszawski, Centrum Nauk Biologiczno-Chemicznych

Self-learning systems in the design of compounds modulating GPCR receptors activation.

Call: OPUS 20 , Panel: NZ2

Principal investigator: dr hab. Dorota Latek

Uniwersytet Warszawski, Wydział Chemii

Development of tools for the rational design of peptide therapeutics

Call: OPUS 20 , Panel: NZ2

Principal investigator: dr hab. Sebastian Kmiecik

Uniwersytet Warszawski, Centrum Nauk Biologiczno-Chemicznych

The influence of environment on biomolecular function, structure and interactions.

Call: SONATA BIS 10 , Panel: ST4

Principal investigator: dr hab. Piotr Setny

Uniwersytet Warszawski, Centrum Nowych Technologii Uniwersytetu Warszawskiego

Towards automatic derivation of geometry-based descriptors as surrogates for complex structural approaches in enzyme-sub...

Call: PRELUDIUM 19 , Panel: NZ2

Principal investigator: Carlos Sequeiros Borja

Uniwersytet im. Adama Mickiewicza w Poznaniu, Wydział Biologii

Combination of Molecular Simulation and Deep Learning for De Novo Drug Design

Call: PRELUDIUM 19 , Panel: ST6

Principal investigator: Tomasz Danel

Uniwersytet Jagielloński, Wydział Matematyki i Informatyki

Seeking for CB1 and CB2 receptor ligands among drugs, drug metabolites, and phytochemical compounds

Call: PRELUDIUM 18 , Panel: NZ7

Principal investigator: Adam Stasiulewicz

Uniwersytet Warszawski, Centrum Nowych Technologii Uniwersytetu Warszawskiego

Molecular mechanisms, signal transduction and inhibition of PEBP1-15LOX protein complex triggering the ferroptotic cell ...

Call: SONATA 15 , Panel: ST4

Principal investigator: dr Karolina Mikulska-Rumińska

Uniwersytet Mikołaja Kopernika w Toruniu, Wydział Fizyki, Astronomii i Informatyki Stosowanej

The use of evolutionary patterns in the optimization of chemotherapy of tuberculosis

Call: SONATA BIS 9 , Panel: NZ6

Principal investigator: dr Alina Minias

Instytut Biologii Medycznej Polskiej Akademii Nauk

Development of a new protein-protein docking method based on the flexible docking of short peptide fragments.

Call: OPUS 17 , Panel: NZ2

Principal investigator: dr Mateusz Kurciński

Uniwersytet Warszawski

Computational insights into procathepsin maturation mediated by glycosaminoglycans.

Call: PRELUDIUM 16 , Panel: ST4

Principal investigator: Krzysztof Bojarski

Uniwersytet Gdański, Wydział Chemii

Modeling of glycosaminoglycan-induced formation of protein structure and enhancement of biologically relevant protein-li...

Call: SONATA BIS 8 , Panel: ST4

Principal investigator: dr Sergey Samsonov

Uniwersytet Gdański, Wydział Chemii

Combining Rosetta method with deeply coarse grained SURPASS model into a novel multiscale algorithm for modeling protein...

Call: OPUS 15 , Panel: ST6

Principal investigator: dr hab. Dominik Gront

Uniwersytet Warszawski, Wydział Chemii

Extension of the CABS-dock method for protein-peptide docking to modelling of membrane proteins

Call: PRELUDIUM 15 , Panel: NZ1

Principal investigator: Maciej Ciemny

Uniwersytet Warszawski, Wydział Chemii

Integrative modeling and structure determination of macromolecular complexes comprising RNA and proteins

Call: MAESTRO 9 , Panel: NZ1

Principal investigator: prof. Janusz Bujnicki

Międzynarodowy Instytut Biologii Molekularnej i Komórkowej

Novel 2,4-disubstituted pyridine derivatives - synthesis, antimycobacterial activity in vitro, pharmacophore model, mole...

Call: OPUS 13 , Panel: NZ7

Principal investigator: dr hab. Katarzyna Gobis

Gdański Uniwersytet Medyczny, Wydział Farmaceutyczny

Inhibitors, protein aggregation and carbon nanotube

Call: OPUS 1 , Panel: NZ1

Principal investigator: dr hab. Mai Li

INSTYTUT FIZYKI PAN

Computational approaches to study protein-glycosaminoglycan interactions

Call: POLONEZ 2 , Panel: ST4

Principal investigator: dr Sergey Samsonov

Uniwersytet Gdański, Wydział Chemii

Development of protocol for in silico design of compounds inhibit Ebola virus infection

Call: PRELUDIUM 11 , Panel: NZ2

Principal investigator: Dawid Warszycki

Instytut Farmakologii Polskiej Akademii Nauk

Global protein docking algorithms based on the UNRES coarse-grained model

Call: PRELUDIUM 9 , Panel: ST4

Principal investigator: dr Paweł Krupa

Uniwersytet Gdański, Wydział Chemii

Development of a method for the structure prediction of GPCRs complexes with agonists and antagonists, including the lig...

Call: SONATA 1 , Panel: NZ2

Principal investigator: dr Michał Koliński

Instytut Medycyny Doświadczalnej i Klinicznej im. Mirosława Mossakowskiego PAN