DE VICO, LUCA
DE VICO, LUCA
Dipartimento di Biotecnologie, Chimica e Farmacia
A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation
2009-01-01 Liu, Fengyi; Liu, Yajun; De Vico, Luca; Lindh, Roland
A computational method for the systematic screening of reaction barriers in enzymes: Searching for Bacillus circulans xylanasemutants with greater activity towards a synthetic substrate
2013-01-01 Hediger, Martin R.; Steinmann, Casper; De Vico, Luca; Jensen, Jan H
A Computational Methodology to Screen Activities of Enzyme Variants
2012-01-01 Hediger, Martin R.; De Vico, Luca; Svendsen, Allan; Besenmatter, Werner; Jensen, Jan H.
A fast photoswitch for minimally perturbed peptides: investigation of the trans→cis photoisomerization of N-methylthioacetamide
2004-01-01 Jan, Helbing; Harald, Bregy; Jens, Bredenbeck; Rolf, Pfister; Peter, Hamm; Robert, Huber; Josef, Wachtveitl; DE VICO, Luca; Olivucci, Massimo
A multiconfigurational wave function implementation of the frenkel exciton model for molecular aggregates
2023-01-01 Kaiser, Andy; Daoud, Razan; Aquilante, Francesco; Kühn, Oliver; De Vico, Luca; Bokarev, Sergey I
A multireference view of photosynthesis: uncovering significant site energy variations among isolated Photosystem II reaction center chlorophylls
2024-01-01 Sørensen, Lea Northcote; De Vico, Luca; Hansen, Thorsten
A theoretical study of singlet low-energy excited states of the benzene dimer
2006-01-01 Rocha Rinza, Tomás; DE VICO, Luca; Veryazov, Valera; Roos, Björn O.
a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion Placement
2019-01-01 Pedraza-González, Laura; De Vico, Luca; MARIN PEREZ, MARIA DEL CARMEN; Fanelli, Francesca; Olivucci, Massimo
Ab initio investigation on the chemical origin of the firefly bioluminescence
2008-01-01 Liu, Ya-Jun; De Vico, Luca; Lindh, Roland
Absorption and Fluorescence Lineshape Theory for Polynomial Potentials
2016-01-01 Anda, André; DE VICO, Luca; Hansen, Thorsten; Abramavičius, Darius
Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of Rhodopsins
2019-01-01 Marín, María Del Carmen; De Vico, Luca; Dong, Sijia S.; Gagliardi, Laura; Truhlar, Donald G.; Olivucci, Massimo
Automated QM/MM screening of rhodopsin variants with enhanced fluorescence
2023-01-01 Pedraza-González, Laura; Barneschi, Leonardo; Marszałek, Michał; Padula, Daniele; De Vico, Luca; Olivucci, Massimo
Azadioxatriangulenium and Diazaoxatriangulenium: Quantum Yields and Fundamental Photophysical Properties
2017-01-01 Bogh, Sidsel A.; Simmermacher, Mats; Westberg, Michael; Bregnhøj, Mikkel; Rosenberg, Martin; DE VICO, Luca; Veiga, Manoel; Laursen, Bo W.; Ogilby, Peter R.; Sauer, Stephan P. A.; Sørensen, Thomas Just
BioFET-SIM Web Interface: Implementation and Two Applications
2012-01-01 Hediger, Martin R.; Jensen, Jan H.; De Vico, Luca
BioFET-SIM: A Tool for the Analysis and Prediction of Signal Changes in Nanowire-Based Field Effect Transistor Biosensors
2013-01-01 Hediger, Martin R.; Martinez, Karen L.; Nygård, Jesper; Brandbyge, Mads; Jensen, Jan H.; De Vico, Luca
Biological Photoreceptors as Models for the Computer Design of Light Driven Molecular Rotors
2005-01-01 DE VICO, Luca
Boron subphthalocyanine based molecular triad systems for the capture of solar energy
2016-01-01 Storm, Freja E.; Olsen, Stine T; Hansen, Thorsten; DE VICO, Luca; Jackson, Nicholas E.; Ratner, Mark A.; Mikkelsen, Kurt V.
Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theory
2006-01-01 Coto, P. B.; Sinicropi, Adalgisa; De Vico, Luca; N. Ferré, N.; Olivucci, Massimo
Chemiluminescence of 1,2-dioxetane. Reaction mechanism uncovered
2007-01-01 De Vico, Luca; Liu, Ya-Jun; Krogh, Jesper Wisborg; Lindh, Roland
Effects of buffer composition and dilution on nanowire field-effect biosensors
2013-01-01 Lloret, Noémie; Frederiksen, Rune S; Møller, Thor C; Rieben, Nathalie I; Upadhyay, Shivendra; De Vico, Luca; Jensen, Jan H; Nygård, Jesper; Martinez, Karen L
| Titolo | Data di pubblicazione | Autore(i) | File | Abstract |
|---|---|---|---|---|
| A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation | 1-gen-2009 | Liu, Fengyi; Liu, Yajun; De Vico, Luca; Lindh, Roland | - | |
| A computational method for the systematic screening of reaction barriers in enzymes: Searching for Bacillus circulans xylanasemutants with greater activity towards a synthetic substrate | 1-gen-2013 | Hediger, Martin R.; Steinmann, Casper; De Vico, Luca; Jensen, Jan H | - | |
| A Computational Methodology to Screen Activities of Enzyme Variants | 1-gen-2012 | Hediger, Martin R.; De Vico, Luca; Svendsen, Allan; Besenmatter, Werner; Jensen, Jan H. | - | |
| A fast photoswitch for minimally perturbed peptides: investigation of the trans→cis photoisomerization of N-methylthioacetamide | 1-gen-2004 | Jan, Helbing; Harald, Bregy; Jens, Bredenbeck; Rolf, Pfister; Peter, Hamm; Robert, Huber; Josef, Wachtveitl; DE VICO, Luca; Olivucci, Massimo | - | |
| A multiconfigurational wave function implementation of the frenkel exciton model for molecular aggregates | 1-gen-2023 | Kaiser, Andy; Daoud, Razan; Aquilante, Francesco; Kühn, Oliver; De Vico, Luca; Bokarev, Sergey I | - | |
| A multireference view of photosynthesis: uncovering significant site energy variations among isolated Photosystem II reaction center chlorophylls | 1-gen-2024 | Sørensen, Lea Northcote; De Vico, Luca; Hansen, Thorsten | - | |
| A theoretical study of singlet low-energy excited states of the benzene dimer | 1-gen-2006 | Rocha Rinza, Tomás; DE VICO, Luca; Veryazov, Valera; Roos, Björn O. | - | |
| a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion Placement | 1-gen-2019 | Pedraza-González, Laura; De Vico, Luca; MARIN PEREZ, MARIA DEL CARMEN; Fanelli, Francesca; Olivucci, Massimo | - | |
| Ab initio investigation on the chemical origin of the firefly bioluminescence | 1-gen-2008 | Liu, Ya-Jun; De Vico, Luca; Lindh, Roland | - | |
| Absorption and Fluorescence Lineshape Theory for Polynomial Potentials | 1-gen-2016 | Anda, André; DE VICO, Luca; Hansen, Thorsten; Abramavičius, Darius | - | |
| Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of Rhodopsins | 1-gen-2019 | Marín, María Del Carmen; De Vico, Luca; Dong, Sijia S.; Gagliardi, Laura; Truhlar, Donald G.; Olivucci, Massimo | - | |
| Automated QM/MM screening of rhodopsin variants with enhanced fluorescence | 1-gen-2023 | Pedraza-González, Laura; Barneschi, Leonardo; Marszałek, Michał; Padula, Daniele; De Vico, Luca; Olivucci, Massimo | - | |
| Azadioxatriangulenium and Diazaoxatriangulenium: Quantum Yields and Fundamental Photophysical Properties | 1-gen-2017 | Bogh, Sidsel A.; Simmermacher, Mats; Westberg, Michael; Bregnhøj, Mikkel; Rosenberg, Martin; DE VICO, Luca; Veiga, Manoel; Laursen, Bo W.; Ogilby, Peter R.; Sauer, Stephan P. A.; Sørensen, Thomas Just | - | |
| BioFET-SIM Web Interface: Implementation and Two Applications | 1-gen-2012 | Hediger, Martin R.; Jensen, Jan H.; De Vico, Luca | - | |
| BioFET-SIM: A Tool for the Analysis and Prediction of Signal Changes in Nanowire-Based Field Effect Transistor Biosensors | 1-gen-2013 | Hediger, Martin R.; Martinez, Karen L.; Nygård, Jesper; Brandbyge, Mads; Jensen, Jan H.; De Vico, Luca | - | |
| Biological Photoreceptors as Models for the Computer Design of Light Driven Molecular Rotors | 1-gen-2005 | DE VICO, Luca | - | |
| Boron subphthalocyanine based molecular triad systems for the capture of solar energy | 1-gen-2016 | Storm, Freja E.; Olsen, Stine T; Hansen, Thorsten; DE VICO, Luca; Jackson, Nicholas E.; Ratner, Mark A.; Mikkelsen, Kurt V. | - | |
| Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theory | 1-gen-2006 | Coto, P. B.; Sinicropi, Adalgisa; De Vico, Luca; N. Ferré, N.; Olivucci, Massimo | - | |
| Chemiluminescence of 1,2-dioxetane. Reaction mechanism uncovered | 1-gen-2007 | De Vico, Luca; Liu, Ya-Jun; Krogh, Jesper Wisborg; Lindh, Roland | - | |
| Effects of buffer composition and dilution on nanowire field-effect biosensors | 1-gen-2013 | Lloret, Noémie; Frederiksen, Rune S; Møller, Thor C; Rieben, Nathalie I; Upadhyay, Shivendra; De Vico, Luca; Jensen, Jan H; Nygård, Jesper; Martinez, Karen L | - |