Plicatin B conformational landscape and affinity to copper (I and II) metal cations. A DFT study
- Author
- ALAGONA, Giuliano1 ; GHIO, Caterina1
[1] CNR-IPCF, Molecular Modelling Lab, Via Moruzzi I, 56124 Pisa, Italy - Source
PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 5, pp 776-790, 15 p ; ref : 20 ref
- Publisher
- Royal Society of Chemistry, Cambridge
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Affinité Chélation Complexe Composé naturel Continuum Cuivre I Cuivre II Densité Energie liaison Ester Etat fondamental Etude comparative Etude théorique Groupe méthyle Ion métallique Liaison Modèle Méthode fonctionnelle densité Oxygène Potentiel effectif Solution aqueuse Stabilité Structure Valence 3115E
- Keyword (en)
- Affinity Chelation Complexes Natural compound Continuum Copper I Copper II Density Binding energy Ester Ground state Comparative study Theoretical study Methyl group Metal ion Binding Models Density functional method Oxygen Effective potential Aqueous solution Stability Structure Valence
- Keyword (es)
- Afinidad Quelación Complejo Compuesto natural Continuo Cobre I Cobre II Densidad Energía enlace Ester Estado fundamental Estudio comparativo Estudio teórico Grupo metilo Ión metálico Enlace Modelo Oxígeno Potencial efectivo Solución acuosa Estabilidad Estructura Valencia
- Classification
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 21107219
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1039/B813464B 
https://dx.doi.org/10.1039/B813464B
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