Sfoglia per Autore
Hypothesis on Serenoa repens (Bartram) small extract inhibition of prostatic 5α-reductase through an in silico approach on 5β-reductase x-ray structure
2016-01-01 Governa, Paolo; Giachetti, Daniela; Biagi, Marco; Manetti, Fabrizio; DE VICO, Luca
Multireference Excitation Energies for Bacteriochlorophylls A within Light Harvesting System 2
2016-01-01 Anda, André; Hansen, Thorsten; 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.
Absorption and Fluorescence Lineshape Theory for Polynomial Potentials
2016-01-01 Anda, André; DE VICO, Luca; Hansen, Thorsten; Abramavičius, Darius
In silico prediction of mutant HIV-1 proteases cleaving a target sequence
2014-01-01 Jensen, Jan H.; Willemoës, Martin; Winther, Jakob R.; DE VICO, Luca
Indium arsenide nanowire field-effect transistors for pH and biological sensing
2014-01-01 Upadhyay, S.; Frederiksen, R.; Lloret, N.; DE VICO, Luca; Krogstrup, P.; Jensen, J. H.; Martinez, K. L.; Nygård, J.
In silico screening of 393 mutants facilitates enzyme engineering of amidase activity in CalB
2013-01-01 Hediger, Martin R.; DE VICO, Luca; Rannes, Julie B.; Jäckel, Christian; Besenmatter, Werner; Svendsen, Allan; Jensen, Jan H.
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.
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
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.
BioFET-SIM Web Interface: Implementation and Two Applications
2012-01-01 Hediger, Martin R.; Jensen, Jan H.; DE VICO, Luca
Predicting and rationalizing the effect of surface charge distribution and orientation on nano-wire based FET bio-sensors
2011-01-01 DE VICO, Luca; Iversen, Lars; Sørensen, Martin H.; Brandbyge, Mads; Nygård, Jesper; Martinez, Karen L.; Jensen, Jan H.
Quantifying signal changes in nano-wire based biosensors
2011-01-01 DE VICO, Luca; Sørensen, Martin H.; Iversen, Lars; Rogers, David M.; Sørensen, Brian S.; Brandbyge, Mads; Nygård, Jesper; Martinez, Karen L.; Jensen, Jan H.
Multireference calculations on the chemical origin and mechanism of firefly bioluminescence
2010-01-01 Chen, Sf; Liu, Yj; Liu, Fy; DE VICO, Luca; Lindh, R.
Software news and update MOLCAS 7: The next generation
2010-01-01 Aquilante, Francesco; DE VICO, Luca; Ferre', NICOLAS LIONEL; Ghigo, Giovanni; Malmqvist, Per Åke; Neogrády, Pavel; Pedersen, Thomas Bondo; Pitoňák, Michal; Reiher, Markus; Roos, Björn O.; Serrano Andrés, Luis; Urban, Miroslav; Veryazov, Valera; Lindh, Roland
Theoretical study of the chemiluminescent decomposition of dioxetanone
2009-01-01 Liu, Fengyi; Liu, Yajun; DE VICO, Luca; Lindh, Roland
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
Location of two seams in the proximity of the C2v ππ* minimum energy path of formaldehyde
2009-01-01 DE VICO, Luca; Lindh, Roland
The ozone ring closure as a test for multi-state multi-configurational second order perturbation theory (MS-CASPT2)
2008-01-01 DE VICO, Luca; Pegado, Luis; Heimdal, Jimmy; Söderhjelm, Pär; Roos, Björn O.
| Titolo | Data di pubblicazione | Autore(i) | File | Abstract |
|---|---|---|---|---|
| Hypothesis on Serenoa repens (Bartram) small extract inhibition of prostatic 5α-reductase through an in silico approach on 5β-reductase x-ray structure | 1-gen-2016 | Governa, Paolo; Giachetti, Daniela; Biagi, Marco; Manetti, Fabrizio; DE VICO, Luca | - | |
| Multireference Excitation Energies for Bacteriochlorophylls A within Light Harvesting System 2 | 1-gen-2016 | Anda, André; Hansen, Thorsten; 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. | - | |
| Absorption and Fluorescence Lineshape Theory for Polynomial Potentials | 1-gen-2016 | Anda, André; DE VICO, Luca; Hansen, Thorsten; Abramavičius, Darius | - | |
| In silico prediction of mutant HIV-1 proteases cleaving a target sequence | 1-gen-2014 | Jensen, Jan H.; Willemoës, Martin; Winther, Jakob R.; DE VICO, Luca | - | |
| Indium arsenide nanowire field-effect transistors for pH and biological sensing | 1-gen-2014 | Upadhyay, S.; Frederiksen, R.; Lloret, N.; DE VICO, Luca; Krogstrup, P.; Jensen, J. H.; Martinez, K. L.; Nygård, J. | - | |
| In silico screening of 393 mutants facilitates enzyme engineering of amidase activity in CalB | 1-gen-2013 | Hediger, Martin R.; DE VICO, Luca; Rannes, Julie B.; Jäckel, Christian; Besenmatter, Werner; Svendsen, Allan; Jensen, Jan H. | - | |
| 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. | - | |
| 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 | - | |
| 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. | - | |
| BioFET-SIM Web Interface: Implementation and Two Applications | 1-gen-2012 | Hediger, Martin R.; Jensen, Jan H.; DE VICO, Luca | - | |
| Predicting and rationalizing the effect of surface charge distribution and orientation on nano-wire based FET bio-sensors | 1-gen-2011 | DE VICO, Luca; Iversen, Lars; Sørensen, Martin H.; Brandbyge, Mads; Nygård, Jesper; Martinez, Karen L.; Jensen, Jan H. | - | |
| Quantifying signal changes in nano-wire based biosensors | 1-gen-2011 | DE VICO, Luca; Sørensen, Martin H.; Iversen, Lars; Rogers, David M.; Sørensen, Brian S.; Brandbyge, Mads; Nygård, Jesper; Martinez, Karen L.; Jensen, Jan H. | - | |
| Multireference calculations on the chemical origin and mechanism of firefly bioluminescence | 1-gen-2010 | Chen, Sf; Liu, Yj; Liu, Fy; DE VICO, Luca; Lindh, R. | - | |
| Software news and update MOLCAS 7: The next generation | 1-gen-2010 | Aquilante, Francesco; DE VICO, Luca; Ferre', NICOLAS LIONEL; Ghigo, Giovanni; Malmqvist, Per Åke; Neogrády, Pavel; Pedersen, Thomas Bondo; Pitoňák, Michal; Reiher, Markus; Roos, Björn O.; Serrano Andrés, Luis; Urban, Miroslav; Veryazov, Valera; Lindh, Roland | - | |
| Theoretical study of the chemiluminescent decomposition of dioxetanone | 1-gen-2009 | Liu, Fengyi; Liu, Yajun; DE VICO, Luca; Lindh, Roland | - | |
| 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 | - | |
| Location of two seams in the proximity of the C2v ππ* minimum energy path of formaldehyde | 1-gen-2009 | DE VICO, Luca; Lindh, Roland | - | |
| The ozone ring closure as a test for multi-state multi-configurational second order perturbation theory (MS-CASPT2) | 1-gen-2008 | DE VICO, Luca; Pegado, Luis; Heimdal, Jimmy; Söderhjelm, Pär; Roos, Björn O. | - |
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