Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Nedjoua Drici"'
Publikováno v:
In Computational Biology and Chemistry June 2018 74:86-93
Autor:
Nedjoua DRICI
Publikováno v:
Chemical Data Collections. 38:100828
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::38dd3928cedbe35f117589ce43c0f93f
https://doi.org/10.1016/j.cdc.2022.100828
https://doi.org/10.1016/j.cdc.2022.100828
Autor:
Nedjoua Drici
Publikováno v:
Chemical Physics Letters. 696:1-7
The asymptotic projection technique is used to investigate the polarization effect that arises from the interaction between the relaxed, and frozen monomeric charge densities of a set of neutral and charged hydrogen bonded complexes. The AP technique
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::70fdac0383367d732f42346f55ba15be
https://doi.org/10.1016/j.cplett.2018.02.034
https://doi.org/10.1016/j.cplett.2018.02.034
Publikováno v:
JBIC Journal of Biological Inorganic Chemistry. 22:109-119
Metal-ligand interactions give rise to a wide variety of metal complexes with various physical properties and chemical behaviours and numerous practical applications. The ability of the zinc ion to enhance the structural stability of many proteins by
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::024de36f5742affe16bfcf14179aa24a
https://doi.org/10.1007/s00775-016-1411-6
https://doi.org/10.1007/s00775-016-1411-6
Autor:
Nedjoua Drici
Publikováno v:
Chemical Data Collections. 20:100204
We inspect the dependence of quantum mechanics/molecular mechanics hybrid calculations (QM/MM) on the quantum mechanics region size using mutated structures of the zinc finger fragment as test cases. We focus on the effect of removing the Alanine res
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d7eaeea4a7fa1d05a8bdf70aa1afddac
https://doi.org/10.1016/j.cdc.2019.100204
https://doi.org/10.1016/j.cdc.2019.100204