DE VICO, LUCA

DE VICO, LUCA  

Dipartimento di Biotecnologie, Chimica e Farmacia  

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Risultati 1 - 20 di 52 (tempo di esecuzione: 0.0 secondi).
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. -