Browsing by Author De Vico, Luca

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Issue DateTitleAuthor(s)Third Mission
2019a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion PlacementPedraza-González, Laura Milena; De Vico, Luca ; Marin Perez, Maria Del Carmen ; Fanelli, Francesca; Olivucci, Massimo Not applicable
2008Ab initio investigation on the chemical origin of the firefly bioluminescenceLiu, Ya Jun; De Vico, Luca ; Lindh, RolandNot applicable
2016Absorption and Fluorescence Lineshape Theory for Polynomial PotentialsAnda, André; De Vico, Luca ; Hansen, Thorsten; Abramavičius, DariusNot applicable
2019Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of RhodopsinsMarin Perez, Maria Del Carmen ; De Vico, Luca ; Dong, Sijia S.; Gagliardi, Laura; Truhlar, Donald G.; Olivucci, Massimo Not applicable
2017Azadioxatriangulenium and Diazaoxatriangulenium: Quantum Yields and Fundamental Photophysical PropertiesBogh, 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 JustNot applicable
2012BioFET-SIM Web Interface: Implementation and Two ApplicationsHediger, Martin R.; Jensen, Jan H.; De Vico, Luca Not applicable
2016Boron subphthalocyanine based molecular triad systems for the capture of solar energyStorm, Freja E.; Olsen, Stine T; Hansen, Thorsten; De Vico, Luca ; Jackson, Nicholas E.; Ratner, Mark A.; Mikkelsen, Kurt V.Not applicable
2009A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitationLiu, Fengyi; Liu, Yajun; De Vico, Luca ; Lindh, RolandNot applicable
2006Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theoryCoto, P. B.; Sinicropi, Adalgisa ; De Vico, Luca ; Olivucci, Massimo ; N., FerréNot applicable
2007Chemiluminescence of 1,2-dioxetane. Reaction mechanism uncoveredDe Vico, Luca ; Liu, Ya Jun; Krogh, Jesper Wisborg; Lindh, RolandNot applicable
2013A computational method for the systematic screening of reaction barriers in enzymes: Searching for Bacillus circulans xylanasemutants with greater activity towards a synthetic substrateHediger, Martin R.; Steinmann, Casper; De Vico, Luca ; Jensen, Jan H.Not applicable
2012A Computational Methodology to Screen Activities of Enzyme VariantsHediger, Martin R.; De Vico, Luca ; Svendsen, Allan; Besenmatter, Werner; Jensen, Jan H.Not applicable
2013Effects of buffer composition and dilution on nanowire field-effect biosensorsLloret, Noémie; Frederiksen, Rune S; Møller, Thor C; Rieben, Nathalie I; Upadhyay, Shivendra; De Vico, Luca ; Jensen, Jan H; Nygård, Jesper; Martinez, Karen L.Not applicable
2004A fast photoswitch for minimally perturbed peptides: investigation of the trans→cis photoisomerization of N-methylthioacetamideJan, Helbing; Harald, Bregy; Jens, Bredenbeck; Rolf, Pfister; Peter, Hamm; Robert, Huber; Josef, Wachtveitl; De Vico, Luca ; Olivucci, Massimo Not applicable
2021Frontiers in Multiscale Modeling of Photoreceptor ProteinsMroginski, M. -A.; Adam, S.; Amoyal, G. S.; Barnoy, A.; Bondar, A. -N.; Borin, V. A.; Church, J. R.; Domratcheva, T.; Ensing, B.; Fanelli, F.; Ferre, N.; Filiba, O.; Pedraza González, Laura Milena ; Gonzalez, R.; Gonzalez-Espinoza, C. E.; Kar, R. K.; Kemmler, L.; Kim, S. S.; Kongsted, J.; Krylov, A. I.; Lahav, Y.; Lazaratos, M.; NasserEddin, Q.; Navizet, I.; Nemukhin, A.; Olivucci, Massimo ; Olsen, J. M. H.; Perez de Alba Ortiz, A.; Pieri, E.; Rao, A. G.; Rhee, Y. M.; Ricardi, N.; Sen, S.; Solov'yov, I. A.; De Vico, Luca ; Wesolowski, T. A.; Wiebeler, C.; Yang, X.; Schapiro, I.Not applicable
2016Hypothesis on Serenoa repens (Bartram) small extract inhibition of prostatic 5α-reductase through an in silico approach on 5β-reductase x-ray structureGoverna, Paolo ; Giachetti, Daniela; Biagi, Marco; Manetti, Fabrizio ; De Vico, Luca Not applicable
2014In silico prediction of mutant HIV-1 proteases cleaving a target sequenceJensen, Jan H.; Willemoës, Martin; Winther, Jakob R.; De Vico, Luca Not applicable
2013In silico screening of 393 mutants facilitates enzyme engineering of amidase activity in CalBHediger, Martin R.; De Vico, Luca ; Rannes, Julie B.; Jäckel, Christian; Besenmatter, Werner; Svendsen, Allan; Jensen, Jan H.Not applicable
2014Indium arsenide nanowire field-effect transistors for pH and biological sensingUpadhyay, S.; Frederiksen, R.; Lloret, N.; De Vico, Luca ; Krogstrup, P.; Jensen, J. H.; Martinez, K. L.; Nygård, J.Not applicable
2017Intermolecular Modes Between LH2 Bacteriochlorophylls and Protein Residues; the Effect on the Excitation EnergiesAnda, André; De Vico, Luca ; Hansen, ThorstenNot applicable