Search results

151. 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

152. 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

153. 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

154. 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

155. 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

156. 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

157. 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

158. 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

159. 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

160. 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

161. 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

162. 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

163. 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

164. 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

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

Principal investigator: Piotr Jankowski

Politechnika Warszawska, Wydział Chemiczny

Call: PRELUDIUM 9, Panel: ST4

166. Modelling of spectral line shapes for weakly interacting systems of atmospheric importance

Principal investigator: dr Hubert Cybulski

Uniwersytet Mikołaja Kopernika, Wydział Fizyki, Astronomii i Informatyki Stosowanej

Call: OPUS 8, Panel: ST4

167. 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

168. 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

169. 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

170. Study of molecule-extraction phase SPME interaction in terms of quick method optimization for the drugs and metabolites …

Principal investigator: dr Krzysztof Goryński

Uniwersytet Mikołaja Kopernika w Toruniu, Collegium Medicum im. Ludwika Rydygiera w Bydgoszczy; Wydział Farmaceutyczny

Call: PRELUDIUM 6, Panel: ST4

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

Principal investigator: prof. Joanna Sadlej

Narodowy Instytut Leków

Call: OPUS 6, Panel: ST4

172. Theoretical studies of biotransformation mechanism of platinum (II) cytostatic complexes

Principal investigator: prof. Szczepan Roszak

Politechnika Wrocławska, Wydział Chemiczny

Call: OPUS 5, Panel: ST4

173. Computational study of physicochemical properties of fragment bacterial ribosome and enzymes in the bounding places of l…

Principal investigator: dr Katarzyna Anna Kulczycka-Mierzejewska

Uniwersytet Warszawski, Interdyscyplinarne Centrum Modelowania Matematycznego i Komputerowego

Call: PRELUDIUM 5, Panel: ST4

174. 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

175. Theoretical investigation of photochemical cobalt-carbon bond breaking in B12 cofactors.

Principal investigator: dr hab. Maria Jaworska

UNIWERSYTET ŚLĄSKI, Wydział Matematyki, Fizyki i Chemii

Call: OPUS 5, Panel: ST4

176. 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

177. Picture of molecular interactions in systems of molecules with anesthetic properties - from an isolated monomer to compl…

Principal investigator: prof. Maria Jadwiga Rospenk

Uniwersytet Wrocławski, Wydział Chemii

Call: OPUS 3, Panel: ST4

178. 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

179. Structural investigation of excited states of chiral compounds

Principal investigator: dr hab. Magdalena Pecul-Kudelska

Uniwersytet Warszawski, Wydział Chemii

Call: OPUS 3, Panel: ST4

180. Properties of chromium(VI), molybdenum(VI) and tungsten(VI) monomeric oxo species on amorphous silica and Al-modified si…

Principal investigator: dr Robert Gryboś

Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera PAN

Call: OPUS 2, Panel: ST4

181. 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

182. 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

183. Hydrogen bonds in spatial confinements

Principal investigator: dr Agnieszka Roztoczyńska

Politechnika Wrocławska, Wydział Chemiczny

Call: SONATA 2, Panel: ST4

184. 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

185. 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

186. Mechanism of enzymatic hydrolysis of s-triazines

Principal investigator: Anna Justyna Grzybkowska

Politechnika Łódzka, Wydział Chemiczny

Call: PRELUDIUM 1, Panel: ST4

187. 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

188. 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

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

Principal investigator: dr Wojciech Skomorowski

Uniwersytet Warszawski

Call: OPUS 28, Panel: ST4

190. 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

191. Ab Initio Exploration of Electronic Dynamics Under Fast Ion Irradiation

Principal investigator: dr hab. Michał Andrzej Lesiuk

Uniwersytet Warszawski

Call: SONATA BIS 14, Panel: ST4

192. Ab-initio Green's function methods for modeling magnetic compounds with strong spin orbit coupling

Principal investigator: prof. Dominika Kamila Zgid

Uniwersytet Warszawski

Call: OPUS 27, Panel: ST4

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

Principal investigator: Tymoteusz Marek Basak

Uniwersytet Warszawski

Call: PRELUDIUM 23, Panel: ST4

194. 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

196. 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

197. 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

198. 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

199. 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

200. 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

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