Search results

201. Design of photoswitchable dismantlers of biomaterials made of amyloid fibrils.

Principal investigator: dr Dorota Anna Niedziałek

Instytut Biochemii i Biofizyki PAN

Call: OPUS 16, Panel: ST4

202. Mechanistic insights into the specificity of glycosaminoglycan interactions with regulatory proteins

Principal investigator: dr hab. Sergey Samsonov

Uniwersytet Gdański, Wydział Chemii

Call: BEETHOVEN 3, Panel: ST4

203. Theoretical investigations of self-assembly in metal-organic overlayers

Principal investigator: dr Damian Nieckarz

Uniwersytet Marii Curie-Skłodowskiej w Lublinie, Wydział Chemii

Call: SONATA 14, Panel: ST4

204. Modeling phosphorylation by human thymidine kinase 1. A crucial step in the rational design of thymidine-analogue radios…

Principal investigator: dr Samanta Kinga Romanowska

Uniwersytet Gdański, Wydział Chemii

Call: PRELUDIUM 15, Panel: ST4

205. 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

206. Catalytic fields as tool for theoretical analysis and design of catalysts

Principal investigator: prof. Wacław Andrzej Sokalski

Politechnika Wrocławska

Call: OPUS 14, Panel: ST4

207. Mechanism of substrate recognition and binding by gamma-secretase on the example of the amyloid precursor protein

Principal investigator: Łukasz Piotr Nierzwicki

Politechnika Gdańska, Wydział Chemiczny

Call: PRELUDIUM 12, Panel: ST4

208. Development of the first-principles effective one-electron potentials for quantum chemistry of extended systems

Principal investigator: dr Bartosz Błasiak

Politechnika Wrocławska, Wydział Chemiczny

Call: POLONEZ 3, Panel: ST4

209. Structure and reactivity of proteins in the gas phase - a meeting between advanced mass spectrometry and molecular model…

Principal investigator: dr Jarosław Jan Panek

Uniwersytet Wrocławski, Wydział Chemii

Call: HARMONIA 8, Panel: ST4

210. Towards molecular understanding of non-classical nucleation pathways: from minerals to proteins.

Principal investigator: dr hab. Piotr Paweł Zarzycki

Instytut Chemii Fizycznej Polskiej Akademii Nauk

Call: SONATA BIS 6, Panel: ST4

211. Anionic, cationic and mesoionic analogues of N-heterocyclic carbenes in homogenous catalysis

Principal investigator: dr hab. Bartosz Trzaskowski

Uniwersytet Warszawski, Centrum Nowych Technologii Uniwersytetu Warszawskiego

Call: SONATA BIS 6, Panel: ST4

212. Determination of the influence of 5' end of RNA modifications and nucleotide or amino acid sequence on the electrostatic…

Principal investigator: Urszula Anna Budniak

Uniwersytet Warszawski, Wydział Chemii

Call: PRELUDIUM 11, Panel: ST4

213. Numerical simulations of passive layer morphology at the metal electrode.

Principal investigator: dr hab. Janusz Wojciech Stafiej

Uniwersytet Kardynała Stefana Wyszyńskiego w Warszawie, Wydział Matematyczno-Przyrodniczy. Szkoła Nauk Ścisłych

Call: OPUS 10, Panel: ST4

214. 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

215. 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

216. Elucidating electronic structures and atomic and molecular properties across the actinide series

Principal investigator: dr Paweł Tecmer

Uniwersytet Mikołaja Kopernika, Wydział Fizyki, Astronomii i Informatyki Stosowanej

Call: POLONEZ 1, Panel: ST4

217. 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

218. 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

219. Theoretical modeling of the self-assembly of molecular nanostructures in adsorbed overlayers

Principal investigator: dr hab. Paweł Jerzy Szabelski

Uniwersytet Marii Curie-Skłodowskiej w Lublinie, Wydział Chemii

Call: OPUS 9, Panel: ST4

220. Mechanism of methyl transfer reactions catalyzed by vitamin B12-dependent methyltransferases

Principal investigator: dr Pawel Michal Kozlowski

Gdański Uniwersytet Medyczny, Wydział Farmaceutyczny z Oddziałem Medycyny Laboratoryjnej

Call: OPUS 9, Panel: ST4

221. Towards new SEI forming additives - from quantum models to real systems

Principal investigator: Piotr Jankowski

Politechnika Warszawska, Wydział Chemiczny

Call: PRELUDIUM 9, Panel: ST4

222. Effect of porosity and chemical nature of carbon surface on chemical reactions equlibria - systematic studies using Mont…

Principal investigator: dr Sylwester Furmaniak

Uniwersytet Mikołaja Kopernika, Wydział Chemii

Call: SONATA 8, Panel: ST4

223. From a molecular in silico model to cellular response in vitro. Modified nucleosides as photo and/or radiosensitizers of…

Principal investigator: prof. Janusz Adam Rak

Uniwersytet Gdański, Wydział Chemii

Call: MAESTRO 6, Panel: ST4

224. Structural and dynamic aspect of the electrostatic interaction in HIV-1 protease.

Principal investigator: Prashant Kumar

Uniwersytet Warszawski, Wydział Chemii

Call: PRELUDIUM 7, Panel: ST4

225. Fentanyl opioid designer drugs: from molecular modeling to in vitro studies

Principal investigator: prof. Joanna Sadlej

Narodowy Instytut Leków

Call: OPUS 6, Panel: ST4

226. Resonant and non-resonant nonlinear optical properties of molecules in confined spaces. Theoretical study.

Principal investigator: dr Justyna Kozłowska

Politechnika Wrocławska, Wydział Chemiczny

Call: PRELUDIUM 5, Panel: ST4

227. Revealing adsorption mechanisms of anisotropic proteins under well-defined transport conditions.

Principal investigator: prof. Zbigniew Adamczyk

Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera PAN

Call: OPUS 4, Panel: ST4

228. The mechanism of regioselective oxidation of cholesterol derivatives by a novel molybdenum enzyme, steroid 25-OH dehydro…

Principal investigator: dr hab. Maciej Szaleniec

Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera PAN

Call: SONATA 3, Panel: ST4

229. Photochemistry and spectroscopy of selected astrochemically relevant carbon-nitrogen molecules

Principal investigator: prof. Robert Kołos

Instytut Chemii Fizycznej Polskiej Akademii Nauk

Call: OPUS 2, Panel: ST4

230. Physicochemical and catalytic properties of heteropolyacids modified with copper ions. Theoretical calculations vs. expe…

Principal investigator: dr hab. Renata Tokarz-Sobieraj

Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera PAN

Call: OPUS 2, Panel: ST4

231. Hydrogen bonds in spatial confinements

Principal investigator: dr Agnieszka Roztoczyńska

Politechnika Wrocławska, Wydział Chemiczny

Call: SONATA 2, Panel: ST4

232. Conformational changes of the pyranose rings: computer simulations

Principal investigator: dr Wojciech Płaziński

Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera PAN

Call: SONATA 2, Panel: ST4

233. 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

234. Mechanism of enzymatic hydrolysis of s-triazines

Principal investigator: Anna Justyna Grzybkowska

Politechnika Łódzka, Wydział Chemiczny

Call: PRELUDIUM 1, Panel: ST4

235. Physicochemical and structural study on the influence of charged amino acidic residues presence in the sequence in stabi…

Principal investigator: dr Joanna Makowska

Uniwersytet Gdański, Wydział Chemii

Call: SONATA 1, Panel: ST4

236. Development of a new tool for electronic resonances using multireference algebraic diagrammatic construction (MR-ADC) th…

Principal investigator: dr Koushik Chatterjee

Uniwersytet Warszawski

Call: SONATA 20, Panel: ST4

237. High-precision theoretical spectroscopy of core-excited and core-ionized electronic states

Principal investigator: dr Wojciech Skomorowski

Uniwersytet Warszawski

Call: OPUS 28, Panel: ST4

238. Oxide heterojunctions of Co3O4|MxOy-type - theoretical and experimental insights into the relationship between structure…

Principal investigator: dr hab. Filip Zasada

Uniwersytet Jagielloński

Call: OPUS 28, Panel: ST4

239. Cyclic triel carbenoids as auxiliary ligands for ruthenium-based olefin metathesis catalysts

Principal investigator: Tymoteusz Marek Basak

Uniwersytet Warszawski

Call: PRELUDIUM 23, Panel: ST4

240. Bio-QCr: Employing the Full Potential of 3D Electron Diffraction in Macromolecular Crystallography Using Quantum Crystal…

Principal investigator: prof. Paulina Maria Dominiak

Uniwersytet Warszawski

Call: OPUS 27, Panel: ST4

Principal investigator: prof. Józef Adam Liwo

Uniwersytet Gdański, Wydział Chemii

Call: OPUS 26, Panel: ST4

242. Sustainable Ethenolysis of Renewable Seed Oils with Novel Ruthenium-Based Catalysts

Principal investigator: dr Juan Pablo Martinez Lopez

Uniwersytet Warszawski, Centrum Nowych Technologii Uniwersytetu Warszawskiego

Call: SONATA 19, Panel: ST4

243. Tungsten Aldehyde Oxidoreductase - a novel hydrogenase. Studies of reaction mechanism and potential biocatalytic applica…

Principal investigator: prof. Maciej Szaleniec

Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera PAN

Call: OPUS 26, Panel: ST4

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

Principal investigator: prof. Arkadiusz Chworoś

Centrum Badań Molekularnych i Makromolekularnych PAN

Call: OPUS 25, Panel: ST4

245. New applications of non-conventional nonempirical methodologies for the analysis of catalytic and inhibitory properties …

Principal investigator: dr Edyta Dyguda-Kazimierowicz

Politechnika Wrocławska

Call: OPUS 25, Panel: ST4

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

Principal investigator: dr Krzysztof Kamil Bojarski

Politechnika Gdańska, Wydział Chemiczny

Call: SONATINA 7, Panel: ST4

247. Induced reactivity of triazole derivatives: theoretical and laser control of reverse "click" reaction.

Principal investigator: dr Dariusz Grzegorz Piekarski

Instytut Chemii Fizycznej Polskiej Akademii Nauk

Call: SONATA 18, Panel: ST4

248. Novel asymmetric anion-exchange membranes for fuel cells

Principal investigator: prof. Artur Michalak

Uniwersytet Jagielloński, Wydział Chemii

Call: M-ERA.NET 2022, Panel: ST4

249. Densitals, Ditopology, and Double Drachmanization: New Concepts and Formalisms for Computation and Analysis of the Two-E…

Principal investigator: prof. Jerzy Ryszard Ciosłowski

Uniwersytet Szczeciński, Instytut Fizyki

Call: OPUS 24, Panel: ST4

250. Statistical Learning of Slow Collective Variables from Atomistic Simulations

Principal investigator: dr hab. Jakub Rydzewski

Uniwersytet Mikołaja Kopernika, Wydział Fizyki, Astronomii i Informatyki Stosowanej

Call: SONATA 17, Panel: ST4

Projects search