About: Theoretical calculations of the interaction and properties of the transition metal complexes with biomolecules.     Goto   Sponge   NotDistinct   Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Projekt, within Data Space : linked.opendata.cz associated with source document(s)

AttributesValues
rdf:type
Description
  • Exploration of the reaction mechanism of various interactions between metallodrugs active in the anticancer treatment with models of DNA/RNA (nucleobases, nucleotides or oligonucleotides) and proteins (amino acids or short peptide sequences) represent the main goal of the project. Having explored thermodynamic and kinetic parameters of cisplatin activation, i.e. the hydration process of replacement chloroligands with water, reaction mechanism of other metal complexes will be explored. Quantum chemical tools based on the DFT and combined QM/MM techniques will be employed. This concerns the so called piano—stool ruthenium(II) complexes (there are two families of them) where some basic aspect of the adduct formation with biomolecules are still uncleared. We plan to explore several points of this interactions. The role of the size of arene ligands plays important role. Similarly, the interaction of tetrakisacetato-diaqua-dirhodium(II,II) complexes with DNA bases represents very complex and demandin (en)
  • Osvětlení reakčních mechanismů interakcí organokovových komplexů s modely DNK/RNK (nukleobázemi, nukleotidy a oligonukleotidy) a proteinů (aminokyselinovými postranními řetězci popř. krátkými peptidovými sekvencemi) pomocí metod kvantové chemie (cs)
Title
  • Teoretické výpočty interakcí a vlastností komplexů přechodných kovů s biomolekulami. (cs)
  • Theoretical calculations of the interaction and properties of the transition metal complexes with biomolecules. (en)
http://linked.open...vai/cislo-smlouvy
http://linked.open...avai/druh-souteze
http://linked.open...domain/vavai/faze
http://linked.open...vavai/hlavni-obor
http://linked.open...vai/vedlejsi-obor
http://linked.open...vavai/id-aktivity
http://linked.open.../vavai/id-souteze
http://linked.open...n/vavai/kategorie
http://linked.open...vai/klicova-slova
  • computational simulations molecular structures quantum chemical calculations organometallic compounds (en)
http://linked.open...avai/konec-reseni
http://linked.open...nujicich-prijemcu
http://linked.open...avai/poskytovatel
http://linked.open...avai/start-reseni
http://linked.open...ai/statni-podpora
http://linked.open...vavai/typProjektu
http://linked.open...ai/uznane-naklady
http://linked.open...ai/pocet-prijemcu
http://linked.open...cet-spoluprijemcu
http://linked.open...ai/pocet-vysledku
http://linked.open...ku-zverejnovanych
is http://linked.open...ain/vavai/projekt of
Faceted Search & Find service v1.16.118 as of Jun 21 2024


Alternative Linked Data Documents: ODE     Content Formats:   [cxml] [csv]     RDF   [text] [turtle] [ld+json] [rdf+json] [rdf+xml]     ODATA   [atom+xml] [odata+json]     Microdata   [microdata+json] [html]    About   
This material is Open Knowledge   W3C Semantic Web Technology [RDF Data] Valid XHTML + RDFa
OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 58 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software