About: Quantum effects in biological electron transfer

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. (en)
Title	Quantum effects in biological electron transfer Quantum effects in biological electron transfer (en)
skos:prefLabel	Quantum effects in biological electron transfer Quantum effects in biological electron transfer (en)
skos:notation	RIV/61388963:_____/12:00379704!RIV13-AV0-61388963
http://linked.open...avai/predkladatel	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	17
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Řezáč, Jan
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	163823
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/12:00379704
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	electron transfer; tunnelling; decoherence; semi-classical molecular dynamics; density functional theory (en)
http://linked.open.../riv/klicoveSlovo	decoherence electron transfer semi-classical molecular dynamics density functional theory tunnelling
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[B041410A4B2F]
http://linked.open...i/riv/nazevZdroje	Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	14
http://linked.open...iv/tvurceVysledku	Řezáč, Jan Sanders, B. C. de la Lande, A. Babcock, N. S. Levy, B. Salahub, D.
http://linked.open...ain/vavai/riv/wos	000302363700003
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	1463-9076
number of pages	17 (xsd:int)
http://bibframe.org/vocab/doi	10.1039/c2cp21823b
is http://linked.open...avai/riv/vysledek of	Quantum effects in biological electron transfer

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