Metal Interactions with Nucleobases, Base Pairs, and Oligomer Sequences; Computational Approach
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F16%3A10335777" target="_blank" >RIV/00216208:11320/16:10335777 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1007/978-94-007-6169-8_36-2" target="_blank" >http://dx.doi.org/10.1007/978-94-007-6169-8_36-2</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/978-94-007-6169-8_36-2" target="_blank" >10.1007/978-94-007-6169-8_36-2</a>
Alternative languages
Result language
angličtina
Original language name
Metal Interactions with Nucleobases, Base Pairs, and Oligomer Sequences; Computational Approach
Original language description
This chapter concerns some of the computational studies devoted to interactions of metal cations with nucleobases, nucleotides, and short oligonucleotides considered as DNA/RNA models. Our topic is fairly complex, therefore the results obtained using mainly ab initio and DFT methods are discussed. The first part focuses on the interactions of isolated bases with metal cations either in bare, hydrated, or ligated forms. We begin with interactions of naked cations with nucleobases in gas phase. Subsequently, solvation effects using polarizable continuum models are analyzed together with a comparison to explicitly hydrated ions. In the second part, adducts of various metals with base pairs and oligomeric models of DNA/RNA are discussed. Separate sections are devoted to complexes of promising anticancer drugs. Stacked bases and larger systems (quadruplexes) studied by semiempirical and QM/MM methods are mentioned in the last part.
Czech name
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Czech description
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Classification
Type
C - Chapter in a specialist book
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA16-06240S" target="_blank" >GA16-06240S: Structure and dynamics of organometallic complexes in bio-environment.</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Book/collection name
Handbook of Computational Chemistry
ISBN
978-94-007-6169-8
Number of pages of the result
48
Pages from-to
1-48
Number of pages of the book
2412
Publisher name
Springer Netherlands
Place of publication
Netherlands
UT code for WoS chapter
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