About: Using DFT methods for the prediction of the structure and energetics of metal-binding sites in metalloproteins.

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About: Using DFT methods for the prediction of the structure and energetics of metal-binding sites in metalloproteins. Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	An example of the application of DFT methods for the quantitative estimates of complexation energies of several TM ions (Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ , Cd 2+ , and Hg 2+ ) in general metal-binding sites in metalloproteins is presented. An example of the application of DFT methods for the quantitative estimates of complexation energies of several TM ions (Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ , Cd 2+ , and Hg 2+ ) in general metal-binding sites in metalloproteins is presented. (en)
Title	Using DFT methods for the prediction of the structure and energetics of metal-binding sites in metalloproteins. Using DFT methods for the prediction of the structure and energetics of metal-binding sites in metalloproteins. (en)
skos:prefLabel	Using DFT methods for the prediction of the structure and energetics of metal-binding sites in metalloproteins. Using DFT methods for the prediction of the structure and energetics of metal-binding sites in metalloproteins. (en)
skos:notation	RIV/61388963:_____/03:57030079!RIV/2004/GA0/A57004/N
http://linked.open.../vavai/riv/strany	504;510
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/01/0832), P(IAA4055103), P(LN00A032), Z(AV0Z4055905)
http://linked.open...iv/cisloPeriodika	N/A
http://linked.open...vai/riv/dodaniDat	2004
http://linked.open...aciTvurceVysledku	Rulíšek, Lubomír Havlas, Zdeněk
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	632373
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/03:57030079
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	DFT; transition metal; metalloproteins (en)
http://linked.open.../riv/klicoveSlovo	metalloproteins transition metal DFT
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[FDDD422868A6]
http://linked.open...i/riv/nazevZdroje	International Journal of Quantum Chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Structure and dynamics of complex molecular systems and biomolecules Design, bacterial expression and fznctional study of novel selective metal binding sites Theoretical Study of the Structure and Reaction Mechanism of Alcohol Dehydrogenase
http://linked.open...UplatneniVysledku	2003
http://linked.open...v/svazekPeriodika	91
http://linked.open...iv/tvurceVysledku	Rulíšek, Lubomír Havlas, Zdeněk
http://linked.open...n/vavai/riv/zamer	Chemical principles of selected biological phenomena in medicine and ecology
issn	0020-7608
number of pages	7 (xsd:int)

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