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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F12%3A00379704%21RIV13-AV0-61388963
rdf:type
skos:Concept n10:Vysledek
dcterms:description
We highlight some of the main conceptual and methodological tools employed to investigate electron tunneling in proteins, with a particular emphasis on the methodologies currently developed by the authors. In particular, we describe our recent contributions to the development of a mixed quantum-classical framework aimed at describing physical systems lying at the border between the quantum and semi-classical worlds. We present original results obtained by combining our approach with constrained Density Functional Theory calculations. Moving to coarser levels of description, we summarize our latest findings on electron transfer between two redox proteins, thereby showing the stabilization of inter-protein, water-mediated, electron-transfer pathways. We highlight some of the main conceptual and methodological tools employed to investigate electron tunneling in proteins, with a particular emphasis on the methodologies currently developed by the authors. In particular, we describe our recent contributions to the development of a mixed quantum-classical framework aimed at describing physical systems lying at the border between the quantum and semi-classical worlds. We present original results obtained by combining our approach with constrained Density Functional Theory calculations. Moving to coarser levels of description, we summarize our latest findings on electron transfer between two redox proteins, thereby showing the stabilization of inter-protein, water-mediated, electron-transfer pathways.
dcterms:title
Quantum effects in biological electron transfer Quantum effects in biological electron transfer
skos:prefLabel
Quantum effects in biological electron transfer Quantum effects in biological electron transfer
skos:notation
RIV/61388963:_____/12:00379704!RIV13-AV0-61388963
n10:predkladatel
n12:ico%3A61388963
n3:aktivita
n13:Z
n3:aktivity
Z(AV0Z40550506)
n3:cisloPeriodika
17
n3:dodaniDat
n14:2013
n3:domaciTvurceVysledku
n19:5993768
n3:druhVysledku
n5:J
n3:duvernostUdaju
n11:S
n3:entitaPredkladatele
n18:predkladatel
n3:idSjednocenehoVysledku
163823
n3:idVysledku
RIV/61388963:_____/12:00379704
n3:jazykVysledku
n16:eng
n3:klicovaSlova
electron transfer; tunnelling; decoherence; semi-classical molecular dynamics; density functional theory
n3:klicoveSlovo
n7:tunnelling n7:semi-classical%20molecular%20dynamics n7:decoherence n7:electron%20transfer n7:density%20functional%20theory
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[B041410A4B2F]
n3:nazevZdroje
Physical Chemistry Chemical Physics
n3:obor
n9:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
6
n3:rokUplatneniVysledku
n14:2012
n3:svazekPeriodika
14
n3:tvurceVysledku
Sanders, B. C. Salahub, D. Babcock, N. S. Levy, B. de la Lande, A. Řezáč, Jan
n3:wos
000302363700003
n3:zamer
n15:AV0Z40550506
s:issn
1463-9076
s:numberOfPages
17
n17:doi
10.1039/c2cp21823b