"electron transfer; tunnelling; decoherence; semi-classical molecular dynamics; density functional theory"@en . "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 . . "Quantum effects in biological electron transfer" . . . "1463-9076" . "163823" . . "Sanders, B. C." . "RIV/61388963:_____/12:00379704!RIV13-AV0-61388963" . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . "Quantum effects in biological electron transfer" . . . . "Quantum effects in biological electron transfer"@en . "Z(AV0Z40550506)" . "17"^^ . "RIV/61388963:_____/12:00379704" . "000302363700003" . "Salahub, D." . "Quantum effects in biological electron transfer"@en . "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." . "6"^^ . . . "Babcock, N. S." . . "14" . "17" . . . "Physical Chemistry Chemical Physics" . "10.1039/c2cp21823b" . . "1"^^ . . "Levy, B." . . "de la Lande, A." . . "[B041410A4B2F]" . "\u0158ez\u00E1\u010D, Jan" . . .