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Emmanuelle Bignon, Marco Marazzi, Stéphanie Grandemange, Antonio Monari
Autophagy and evasion of the immune system by SARS-CoV-2. Structural features of the non-structural protein 6 from wild type and Omicron viral strains interacting with a model lipid bilayer [Chemical Science,Royal Society of Chemistry],2022   Vol. 13, No. 20, pp. 6098-6105.
Emmanuelle Bignon, Marco Marazzi, Antonio Monari
Hijacking of Cellular Functions by SARS-CoV-2. Permeabilization and Polarization of the Host Lipid Membrane by Viroporins. [bioRxiv,Cold Spring Harbor Laboratory],2022   Vol. 68, No. 2, pp. 730-736.
Martina Nucci, Alejandro Núñez, Luis Manuel Frutos, Marco Marazzi
Design of Improved Molecular Solar‐Thermal Systems by Mechanochemistry: The Case of Azobenzene [Advanced Sustainable Systems],2022   Vol. <N/A>, No. <N/A>, pp. 2200097.
Elena Contreras-García, Carmen Lozano, Cristina García-Iriepa, Marco Marazzi, Arthur H Winter, Carmen Torres, Diego Sampedro
Controlling Antimicrobial Activity of Quinolones Using Visible/NIR Light-Activated BODIPY Photocages [Pharmaceutics,MDPI],2022   Vol. 14, No. 5, pp. 1070.
Emmanuelle Bignon, Marco Marazzi, Antonio Monari
Hijacking of Cellular Functions by Severe Acute Respiratory Syndrome Coronavirus-2. Permeabilization and Polarization of the Host Lipid Membrane by Viroporins [The Journal of Physical Chemistry Letters,American Chemical Society],2022   Vol. 13, pp. 4642-4649.
Cécilia Hognon, Marco Marazzi, Cristina García-Iriepa
Atomistic-level description of the covalent inhibition of SARS-CoV-2 papain-like protease [International Journal of Molecular Sciences,MDPI],2022   Vol. 23, No. 10, pp. 5855.
Emmanuelle Bignon, Marco Marazzi, Tom Miclot, Giampaolo Barone, Antonio Monari
Specific Recognition of the 5′-Untranslated Region of West Nile Virus Genome by Human Innate Immune System [Viruses,MDPI],2022   Vol. 14, No. 6, pp. 1282.
Fiorella Lucarini, David Bongni, Philippe Schiel, Gabriele Bevini, Elisabetta Benazzi, Euro Solari, Farzaneh Fadaei‐Tirani, Rosario Scopelliti, Marco Marazzi, Mirco Natali, Mariachiara Pastore, Albert Ruggi
Cover Feature: Rationalizing Photo‐Triggered Hydrogen Evolution Using Polypyridine Cobalt Complexes: Substituent Effects on Hexadentate Chelating Ligands (ChemSusChem 8/2021) [ChemSusChem],2021   Vol. 14, No. 8, pp. 1778-1778.
Marco Marazzi, Cristina García-Iriepa, Carlos Benitez-Martin, Francisco Najera, Antonio Monari, Diego Sampedro
E/Z Molecular Photoswitches Activated by Two-Photon Absorption: Comparison between Different Families [Molecules,MDPI],2021   Vol. 26, No. 23, pp. 7379.
José Quílez-Alburquerque, Cristina García-Iriepa, Marco Marazzi, Ana B Descalzo, Guillermo Orellana
Interaction of a 1,3-Dicarbonyl Toxin with Ru(II)-Biimidazole Complexes for Luminescence Sensing: A Spectroscopic and Photochemical Experimental Study Rationalized by Time-Dependent Density Functional Theory Calculations [Inorganic chemistry,American Chemical Society],2021   Vol. 61, No. 1, pp. 328-337.
Felipe Zapata, Martina Nucci, Obis Castano, Marco Marazzi, Luis Manuel Frutos
Thermal and Mechanochemical Tuning of the Porphyrin Singlet-Triplet Gap for Selective Energy Transfer Processes: A Molecular Dynamics Approach [Journal of chemical theory and computation,American Chemical Society],2021   Vol. 17, No. 9, pp. 5429-5439.
Tom Miclot, Cécilia Hognon, Emmanuelle Bignon, Alessio Terenzi, Marco Marazzi, Giampaolo Barone, Antonio Monari
Structure and dynamics of RNA guanine quadruplexes in SARS-CoV-2 genome. Original strategies against emerging viruses [The journal of physical chemistry letters,American Chemical Society],2021   Vol. 12, No. 42, pp. 10277-10283.
Fiorella Lucarini, David Bongni, Philippe Schiel, Gabriele Bevini, Elisabetta Benazzi, Euro Solari, Farzaneh Fadaei‐Tirani, Rosario Scopelliti, Marco Marazzi, Mirco Natali, Mariachiara Pastore, Albert Ruggi
Rationalizing Photo‐Triggered Hydrogen Evolution Using Polypyridine Cobalt Complexes: Substituent Effects on Hexadentate Chelating Ligands [ChemSusChem],2021   Vol. 14, No. 8, pp. 1874-1885.
Antonio Francés-Monerris, Cristina García-Iriepa, Isabel Iriepa, Cécilia Hognon, Tom Miclot, Giampaolo Barone, Antonio Monari, Marco Marazzi
Microscopic interactions between ivermectin and key human and viral proteins involved in SARS-CoV-2 infection [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2021   Vol. 23, No. 40, pp. 22957-22971.
David Martínez‐López, Eduardo Santamaría‐Aranda, Marco Marazzi, Cristina García‐Iriepa, Diego Sampedro
π‐Bridge Substitution in DASAs: The Subtle Equilibrium between Photochemical Improvements and Thermal Control [Chemistry–A European Journal],2021   Vol. 27, No. 13, pp. 4420-4429.
Cristina Garcia-Iriepa, Marco Marazzi, Isabelle Navizet
The role of CO 2 detachment in fungal bioluminescence: thermally vs. excited state induced pathways [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2020   Vol. 22, No. 46, pp. 26787-26795.
Antonio Francés-Monerris, Cristina Garcia-Iriepa, Isabel Iriepa, Cecilia Hognon, Tom Miclot, Giampaolo Barone, Antonio Monari, Marco Marazzi
Has Ivermectin Virus-Directed Effects against SARS-CoV-2? Rationalizing the Action of a Potential Multitarget Antiviral Agent [N/A],2020   Vol. < N/A>, < No. N/A>, pp. < N/A>.
Marco Marazzi, Antonio Francés-Monerris, Maxime Mourer, Andreea Pasc, Antonio Monari
Trans-to-cis photoisomerization of cyclocurcumin in different environments rationalized by computational photochemistry [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2020   Vol. 22, No. 8, pp. 4749-4757.
Vishal K Jaiswal, Javier Segarra-Martí, Marco Marazzi, Elena Zvereva, Xavier Assfeld, Antonio Monari, Marco Garavelli, Ivan Rivalta
First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2020   Vol. 22, No. 27, pp. 15496-15508.
Sebastian Mai, Maximilian FSJ Menger, Marco Marazzi, Dario L Stolba, Antonio Monari, Leticia González
Competing ultrafast photoinduced electron transfer and intersystem crossing of [Re(CO)3(Dmp)(His124)(Trp122)]+ in Pseudomonas aeruginosa azurin: a nonadiabatic dynamics study [Theoretical Chemistry Accounts,Springer Berlin Heidelberg],2020   Vol. 139, No. 3, pp. 1-13.
Fiorella Lucarini, Jennifer Fize, Adina Morozan, Marco Marazzi, Mirco Natali, Mariachiara Pastore, Vincent Artero, Albert Ruggi
Insights into the mechanism of photosynthetic H 2 evolution catalyzed by a heptacoordinate cobalt complex [Sustainable Energy & Fuels,Royal Society of Chemistry],2020   Vol. 4, No. 2, pp. 589-599.
Louise Breloy, Raúl Losantos, Diego Sampedro, Marco Marazzi, Jean-Pierre Malval, Yun Heo, Jun Akimoto, Yoshihiro Ito, Vlasta Brezová, Davy-Louis Versace
Allyl amino-thioxanthone derivatives as highly efficient visible light H-donors and co-polymerizable photoinitiators [Polymer Chemistry,Royal Society of Chemistry],2020   Vol. 11, No. 26, pp. 4297-4312.
Tahani ACA Bayrakdar, Fady Nahra, Jack V Davis, Mohan M Gamage, Burjor Captain, Manuel Temprado, Marco Marazzi, Marina Saab, Kristof Van Hecke, Dominic Ormerod, Carl D Hoff, Steven P Nolan
Dinuclear Gold(I) Complexes Bearing Alkyl-Bridged Bis(N-heterocyclic carbene) Ligands as Catalysts for Carboxylative Cyclization of Propargylamine: Synthesis, Structure, and Kinetic and Mechanistic Comparison to the Mononuclear Complex [Au(IPr)Cl] [Organometallics,American Chemical Society],2020   Vol. 39, No. 15, pp. 2907-2916.
Cristina García-Iriepa, Cecilia Hognon, Antonio Francés-Monerris, Isabel Iriepa, Tom Miclot, Giampaolo Barone, Antonio Monari, Marco Marazzi
Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus-2 and the Receptor of Human Angiotensin-Converting Enzyme 2. Effects of Possible Ligands [The journal of physical chemistry letters,American Chemical Society],2020   Vol. 11, No. 21, pp. 9272-9281.
Cécilia Hognon, Tom Miclot, Cristina Garcı́a-Iriepa, Antonio Francés-Monerris, Stephanie Grandemange, Alessio Terenzi, Marco Marazzi, Giampaolo Barone, Antonio Monari
Role of RNA guanine quadruplexes in favoring the dimerization of SARS unique domain in coronaviruses [The journal of physical chemistry letters,American Chemical Society],2020   Vol. 11, No. 14, pp. 5661-5667.
Yanan Guo, Franziska E Wolff, Igor Schapiro, Marcus Elstner, Marco Marazzi
Different hydrogen bonding environments of the retinal protonated Schiff base control the photoisomerization in channelrhodopsin-2 [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2019   Vol. 21, No. 18, pp. 9605-9605.
Martina Nucci, Marco Marazzi, Luis Manuel Frutos
Mechanochemical improvement of norbornadiene-based molecular solar–thermal systems performance [ACS Sustainable Chemistry & Engineering,American Chemical Society],2019   Vol. 7, No. 24, pp. 19496-19504.
Marco Marazzi Alessio Valentini, Martina Nucci, Luis Manuel Frutos
Photosensitized Retinal Isomerization in Rhodopsin Mediated by a Triplet State [ChemPhotoChem],2019   Vol. <N/A>, No. <N/A>, pp. <N/A>.
Marco Marazzi, Hugo Gattuso, Maria Fumanal, Chantal Daniel, Antonio Monari
Charge‐Transfer versus Charge‐Separated Triplet Excited States of [ReI (dmp)(CO) 3 (His124)(Trp122)]+ in Water and in Modified Pseudomonas aeruginosa Azurin Protein [Chemistry–A European Journal],2019   Vol. 25, No. 10, pp. 2519-2526.
Victor Moron, Marco Marazzi, Marius Wanko
Far red fluorescent proteins: where is the limit of the acylimine chromophore? [Journal of Chemical Theory and Computation,American Chemical Society],2019   Vol. 15, No. 7, pp. 4228-4240.
Marco Marazzi, Hugo Gattuso, Angelo Giussani, Hong Zhang, Miriam Navarrete-Miguel, Christophe Chipot, Wensheng Cai, Daniel Roca-Sanjuan, Francois Dehez, Antonio Monari
Induced Night Vision by Singlet-Oxygen-Mediated Activation of Rhodopsin [The Journal of Physical Chemistry Letters,American Chemical Society],2019   Vol. 10, No. 22, pp. 7133-7140.
Diego Sampedro Cristina García‐Iriepa, Marco Marazzi
From Light Absorption to Cyclization: Structure and Solvent Effects in Donor‐Acceptor Stenhouse Adducts [ChemPhotoChem,Wiley Online Library],2019   Vol. <N/A>, No. <N/A>, pp. <N/A>.
M Nazari, CD Bösch, Ariana Rondi, A Francés-Monerris, Marco Marazzi, Elise Lognon, Michela Gazzetto, Simon Matthias Langenegger, Robert Häner, Thomas Feurer, Antonio Monari, Andrea Cannizzo
Ultrafast dynamics in polycyclic aromatic hydrocarbons: the key case of conical intersections at higher excited states and their role in the photophysics of phenanthrene monomer [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2019   Vol. 21, No. 31, pp. 16981-16988.
Elena Zvereva, Javier Segarra-Martí, Marco Marazzi, Johanna Brazard, Artur Nenov, Oliver Weingart, Jérémie Léonard, Marco Garavelli, Ivan Rivalta, Elise Dumont, Xavier Assfeld, Stefan Haacke, Antonio Monari
The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone [Photochemical & Photobiological Sciences,Springer International Publishing],2018   Vol. 17, No. 3, pp. 323-331.
Ozlem Sengul, Marco Marazzi, Antonio Monari, Saron Catak
Photophysical properties of novel two-photon absorbing dyes: assessing their possible use for singlet oxygen generation [The Journal of Physical Chemistry C,American Chemical Society],2018   Vol. 122, No. 28, pp. 16315-16324.
Javier Segarra-Martí, Elena Zvereva, Marco Marazzi, Johanna Brazard, Elise Dumont, Xavier Assfeld, Stefan Haacke, Marco Garavelli, Antonio Monari, Jérémie Léonard, Ivan Rivalta
Resolving the singlet excited state manifold of benzophenone by first-principles simulations and ultrafast spectroscopy [Journal of Chemical Theory and Computation,American Chemical Society],2018   Vol. 14, No. 5, pp. 2570-2585.
Thomas Schnappinger, Marco Marazzi, Sebastian Mai, Antonio Monari, Leticia González, Regina de Vivie-Riedle
Intersystem crossing as a key component of the nonadiabatic relaxation dynamics of bithiophene and terthiophene [Journal of Chemical Theory and Computation,American Chemical Society],2018   Vol. 14, No. 9, pp. 4530-4540.
Yanan Guo, Franziska E Wolff, Igor Schapiro, Marcus Elstner, Marco Marazzi
Different hydrogen bonding environments of the retinal protonated Schiff base control the photoisomerization in channelrhodopsin-2 [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2018   Vol. 20, No. 43, pp. 27501-27509.
Marco Marazzi, Hugo Gattuso, Antonio Monari, Xavier Assfeld
Steady-state linear and non-linear optical spectroscopy of organic chromophores and bio-macromolecules [Frontiers in Chemistry,Frontiers Media SA],2018   Vol. 6, No. <N/A> pp. 86.
Antonio Francés-Monerris, Hugo Gattuso, Daniel Roca-Sanjuán, Iñaki Tuñón, Marco Marazzi, Elise Dumont, Antonio Monari
Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: intrinsic photostability of DNA [Chemical science,Royal Society of Chemistry],2018   Vol. 9, No. 41, pp. 7902-7911.
Marco Marazzi, Vanessa Besancenot, Hugo Gattuso, Henri-Pierre Lassalle, Stéphanie Grandemange, Antonio Monari
Photophysics of the Singlet Oxygen Sensor Green Chromophore: Self-Production of 1O2 Explained by Molecular Modeling [The Journal of Physical Chemistry B,American Chemical Society],2017   Vol. 121, No. 32, pp. 7586-7592.
Hugo Gattuso, Marco Marazzi, François Dehez, Antonio Monari
Deciphering the photosensitization mechanisms of hypericin towards biological membranes [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2017   Vol. 19, No. 34, pp. 23187-23193.
Hugo Gattuso, Cristina García-Iriepa, Diego Sampedro, Antonio Monari, Marco Marazzi
Simulating the electronic circular dichroism spectra of photoreversible peptide conformations [Journal of Chemical Theory and Computation,American Chemical Society],2017   Vol. 13, No. 7, pp. 3290-3296.
Emmanuelle Bignon, Marco Marazzi, Vanessa Besancenot, Hugo Gattuso, Guillaume Drouot, Christophe Morell, Leif A Eriksson, Stephanie Grandemange, Elise Dumont, Antonio Monari
Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process [Scientific reports,Nature Publishing Group],2017   Vol. 7, No. 1, pp. 1-10.
Alessio Valentini, Daniel Rivero, Felipe Zapata, Cristina García‐Iriepa, Marco Marazzi, Raúl Palmeiro, Ignacio Fdez. Galván, Diego Sampedro, Massimo Olivucci, Luis Manuel Frutos
Optomechanical Control of Quantum Yield in Trans–Cis Ultrafast Photoisomerization of a Retinal Chromophore Model [Angewandte Chemie International Edition],2017   Vol. 56, No. 14, pp. 3842-3846.
Ariste Bolivard Voufack, Nicolas Claiser, Claude Lecomte, Sébastien Pillet, Yves Pontillon, Béatrice Gillon, Zeyin Yan, J-M Gillet, Marco Marazzi, Alessandro Genoni, Mohamed Souhassou
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical [Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials,International Union of Crystallography],2017   Vol. 73, No. 4, pp. 544-549.
Cristina García-Iriepa, Marco Marazzi
Level of theory and solvent effects on DASA absorption properties prediction: comparing TD-DFT, CASPT2 and NEVPT2 [Materials,MDPI],2017   Vol. 10, No. 9, pp. 1025.
Hugo Gattuso, Antonio Monari, Marco Marazzi
Photophysics of chlorin e6: from one-and two-photon absorption to fluorescence and phosphorescence [RSC advances,Royal Society of Chemistry],2017   Vol. 7, No. 18, pp. 10992-10999.
Thomas Schnappinger, Patrick Kölle, Marco Marazzi, Antonio Monari, Leticia González, Regina de Vivie-Riedle
Ab initio molecular dynamics of thiophene: the interplay of internal conversion and intersystem crossing [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2017   Vol. 19, No. 37, pp. 25662-25670.
Yusaku Hontani, Marco Marazzi, Katja Stehfest, Tilo Mathes, Ivo HM van Stokkum, Marcus Elstner, Peter Hegemann, John Kennis
Reaction dynamics of the chimeric channelrhodopsin C1C2 [Scientific reports,Nature Publishing Group],2017   Vol. 7, No. 1, pp. 1-12.
Cristina García-Iriepa, Moussa Gueye, Jérémie Léonard, David Martínez-López, Pedro J Campos, Luis Manuel Frutos, Diego Sampedro, Marco Marazzi
A biomimetic molecular switch at work: coupling photoisomerization dynamics to peptide structural rearrangement [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2016   Vol. 18, No. 8, pp. 6742-6753.
Marco Marazzi, Meilani Wibowo, Hugo Gattuso, Elise Dumont, Daniel Roca-Sanjuán, Antonio Monari
Hydrogen abstraction by photoexcited benzophenone: consequences for DNA photosensitization [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2016   Vol. 18, No. 11, pp. 7829-7836.
Hugo Gattuso, Elise Dumont, Marco Marazzi, Antonio Monari
Two-photon-absorption DNA sensitization via solvated electron production: Unraveling photochemical pathways by molecular modeling and simulation [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2016   Vol. 18, No. 27, pp. 18598-18606.
Marco Marazzi, Hugo Gattuso, Antonio Monari
Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects [Theoretical Chemistry Accounts,Springer Berlin Heidelberg],2016   Vol. 135, No. 3, pp. 1-11.
Hugo Gattuso, Vanessa Besancenot, Stéphanie Grandemange, Marco Marazzi, Antonio Monari
From non-covalent binding to irreversible DNA lesions: nile blue and nile red as photosensitizing agents [Scientific reports,Nature Publishing Group],2016   Vol. 6, No. 1, pp. 1-10.
Haydar Taylan Turan, Yiğitcan Eken, Marco Marazzi, Mariachiara Pastore, Viktorya Aviyente, Antonio Monari
Assessing one-and two-photon optical properties of boron containing arenes [The Journal of Physical Chemistry C,American Chemical Society],2016   Vol. 120, No. 32, pp. 17916-17926.
Yanan Guo, Franziska E Beyle, Beatrix M Bold, Hiroshi C Watanabe, Axel Koslowski, Walter Thiel, Peter Hegemann, Marco Marazzi, Marcus Elstner
Active site structure and absorption spectrum of channelrhodopsin-2 wild-type and C128T mutant [Chemical Science,Royal Society of Chemistry],2016   Vol. 7, No. 6, pp. 3879-3891.
Marco Marazzi, Sebastian Mai, Daniel Roca-Sanjuán, Mickaël G Delcey, Roland Lindh, Leticia González, Antonio Monari
Benzophenone ultrafast triplet population: revisiting the kinetic model by surface-hopping dynamics [The journal of physical chemistry letters,American Chemical Society],2016   Vol. 7, No. 4, pp. 622-626.
Felipe Zapata, Marco Marazzi, Obis Castaño, A Ulises Acuña, Luis Manuel Frutos
Definition and determination of the triplet-triplet energy transfer reaction coordinate [The Journal of Chemical Physics,American Institute of Physics],2014   Vol. 140, No. 3, pp. 034102.
Tomče Runčevski, Marina Blanco‐Lomas, Marco Marazzi, Marcos Cejuela, Diego Sampedro, Robert E Dinnebier
Following a photoinduced reconstructive phase transformation and its influence on the crystal integrity: powder diffraction and theoretical study [Angewandte Chemie International Edition,WILEY‐VCH Verlag],2014   Vol. 53, No. 26, pp. 6738-6742.
Felipe Zapata, Miguel Ángel Fernández-González, Daniel Rivero, Angel Alvarez, Marco Marazzi, Luis Manuel Frutos
Toward an optomechanical control of photoswitches by tuning their spectroscopical properties: Structural and dynamical insights into azobenzene [Journal of Chemical Theory and Computation,American Chemical Society],2014   Vol. 10, No. 1, pp. 312-323.
Cristina García-Iriepa, Marco Marazzi, Felipe Zapata, Alessio Valentini, Diego Sampedro, Luis Manuel Frutos
Chiral hydrogen bond environment providing unidirectional rotation in photoactive molecular motors [The journal of physical chemistry letters,American Chemical Society],2013   Vol. 4, No. 9, pp. 1389-1396.
Cristina Garcia-Iriepa, Marco Marazzi, Luis Manuel Frutos, Diego Sampedro
E/Z Photochemical switches: syntheses, properties and applications [RSC advances,Royal Society of Chemistry],2013   Vol. 3, No. 18, pp. 6241-6266.
Marco Marazzi, Marina Blanco-Lomas, Miguel A Rodríguez, Pedro J Campos, Obis Castano, Diego Sampedro, Luis Manuel Frutos
On the mechanism of the photocyclization of azadienes [Tetrahedron,Pergamon],2012   Vol. 68, No. 2, pp. 730-736.
Marco Marazzi, Isabelle Navizet, Roland Lindh, Luis Manuel Frutos
Photostability Mechanisms in Human γB-Crystallin: Role of the Tyrosine Corner Unveiled by Quantum Mechanics and Hybrid Quantum Mechanics/Molecular Mechanics Methodologies [Journal of chemical theory and computation,American Chemical Society],2012   Vol. 8, No. 4, pp. 1351-1359.
Miguel Ángel Fernández-González, Marco Marazzi, Alberto López-Delgado, Felipe Zapata, Cristina García-Iriepa, Daniel Rivero, Obis Castaño, Manuel Temprado, Luis Manuel Frutos
Structural substituent effect in the excitation energy of a chromophore: quantitative determination and application to S-nitrosothiols [Journal of Chemical Theory and Computation,American Chemical Society],2012   Vol. 8, No. 9, pp. 3293-3302.
Marco Marazzi, Alberto López-Delgado, Miguel Angel Fernández-González, Obis Castaño, Luis Manuel Frutos, Manuel Temprado
Modulating Nitric Oxide Release by S-Nitrosothiol Photocleavage: Mechanism and Substituent Effects [The Journal of Physical Chemistry A,American Chemical Society],2012   Vol. 116, No. 26, pp. 7039-7049.
Marco Marazzi, Unai Sancho, Obis Castano, Luis Manuel Frutos
First principles study of photostability within hydrogen-bonded amino acids [Physical Chemistry Chemical Physics,Royal Society of Chemistry],2011   Vol. 13, No. 17, pp. 7805-7811.
Marco Marazzi, Unai Sancho, Obis Castano, Wolfgang Domcke, Luis Manuel Frutos
Photoinduced proton transfer as a possible mechanism for highly efficient excited-state deactivation in proteins [The Journal of Physical Chemistry Letters,American Chemical Society],2010   Vol. 1, No. 1, pp. 425-428.