Articles publicats en revistes (Ciència dels Materials i Química Física) Collection home page

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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 1059
Issue DateTitleAuthor(s)
20-May-2022Shedding light on the binding mechanism of kinase inhibitors BI-2536, Volasetib and Ro-3280 with their pharmacological target PLK1Fernandez-Sainz, Jesús; Pacheco-Linan, Pedro J.; Granadino Roldán, José M.; Bravo, Ivan; Rubio Martínez, Jaime; Albaladejo, Jose; Garzón, Andrés
11-Apr-2022Weathered bottom ash from municipal solid waste incineration: Alkaline activation for sustainable bindersMaldonado Alameda, Alex; Giró Paloma, Jessica; Andreola, Fernanda; Barbieri, Luisa; Chimenos Ribera, Josep Ma.; Lancellotti, Isabella
11-Mar-2022Nanostructuring determines poisoning: Tailoring CO adsorption on PtCu bimetallic nanoparticles.Vega Dominguez, Lorena; García Cardona, Julia; Viñes Solana, Francesc; Cabot Julià, Pere-Lluís; Neyman, Konstantin M.
6-Aug-2021Chemical ordering in Pt-Au, Pt-Ag and Pt-Cu nanoparticles from density functional calculations using a topological approachVega Dominguez, Lorena; Aleksandrov, Hristiyan A.; Farris, Riccardo; Bruix, Albert; Viñes Solana, Francesc; Neyman, Konstantin M.
2021AgPd, AuPd, and AuPt nanoalloys with Ag- or Au-rich compositions: Modeling chemical ordering and optical propertiesDanielis, Nicola; Vega Dominguez, Lorena; Fronzoni, Giovanna; Stener, Mauro; Bruix, Albert; Neyman, Konstantin M.
25-Mar-2022The relevance of thermochemical energy storage in the last two decades: The analysis of research evolutionSalgado-Pizarro, Rebeca; Calderón, Alejandro; Svobodova Sedlackova, Adela; Fernández Renna, Ana Inés; Barreneche, Camila
8-Jul-2021Characterization of demolition waste powder to be processed as sensible thermal energy storage materialKoçak, Burcu; Fernández Renna, Ana Inés; Paksoy, Halime O.
24-Jan-2021CO oxidation activity of Pt/CeO2 catalysts below 0ºC: Platinum loading effectsBoronin, A.I.; Slavinskaya, E.M.; Figueroba Sánchez, Alberto; Stadnichenko, A.I.; Kardash, T.Yu.; Stonkus, O.A.; Fedorova, E.A.; Muravev, V.V.; Svetlichnyi, V.A.; Bruix, Albert; Neyman, Konstantin M.
22-Nov-2021Discovery of diverse natural products as inhibitors of SARS-CoV-2 Mpro protease through virtual screeningRubio Martínez, Jaime; Jiménez-Alesanco, Ana; Ceballos-Laita, Laura; Ortega Alarcón, David; Vega, Sonia; Calvo, Cristina; Benítez, Cristina; Abian, Olga; Velázquez-Campoy, Adrián; Thomson, Timothy; Granadino Roldán, José M.; Gómez-Gutiérrez, Patricia; Pérez González, Juan J.
28-Dec-2020Fragment Dissolved molecular dynamics: A systematic and efficient method to locate binding sites.Privat-Contreras, Cristian; Granadino Roldán, José M.; Bonet, Jordi; Santos Tomas, M.; Pérez González, Juan J.; Rubio Martínez, Jaime
23-Mar-2020Molecular Determinants for the Activation/Inhibition of Bak Protein by BH3 PeptidesVila-Julià, Guillem; Granadino Roldán, José M.; Pérez González, Juan J.; Rubio Martínez, Jaime
1-Jan-2020Multigram scale synthesis of polycyclic lactones and evaluation of antitumor and other biological propertiesGrau, Laura; Romero, Manel; Privat-Contreras, Cristian; Presa, Daniela; Viñas, Miquel; Morral, Jordi; Pors, Klaus; Rubio Martínez, Jaime; Pujol Dilmé, M. Dolors
1-May-2019Toward understanding calmodulin plasticity by molecular dynamicsGarrido, Eduardo; Jaumot i Pijoan, Montserrat; Agell i Jané, Neus; Granadino Roldán, José M.; Rubio Martínez, Jaime
1-Feb-2018Substituted tetrahydroisoquinolines: synthesis, characterization, antitumor activity and other biological propertiesCapilla, A. Sergi; Soucek, Richard; Grau, Laura; Romero, Manel; Rubio Martínez, Jaime; Caignard, Daniel H.; Pujol Dilmé, M. Dolors
1-Jul-2017Binding of the anticancer drug BI-2536 to human serum albumin. A spectroscopic and theoretical studyFernandez-Sainz, Jesús; Pacheco-Linan, Pedro J.; Granadino Roldán, José M.; Bravo, Ivan; Garzón, Andrés; Rubio Martínez, Jaime; Albaladejo, Jose
20-Jan-2022Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxidesMazheika, Aliaksei; Wang, Yang-Gang; Valero Montero, Rosendo; Viñes Solana, Francesc; Illas i Riera, Francesc; Ghiringelli, Luca M.; Levchenko, Sergey V.; Scheffler, Matthias
11-Dec-2020Novel Geopolymer for Use as a Sensible Storage Option in High Temperature Thermal Energy Storage SystemsJacob, Rhys; Trout, Neil; Solé, Aran; Clarke, Stephen; Fernández Renna, Ana Inés; Cabeza, Luisa F.; Saman, Wasim; Bruno, Frank
22-Jun-2021Competition of quantum effects in H2/D2 sieving in narrow single-wall carbon nanotubesMondelo-Martell, Manel; Huarte Larrañaga, Fermín
23-Jul-2018Flame retardancy effect of combined ammonium polyphosphate and aluminium diethyl phosphinate in acrylonitrile-butadiene-styreneRealinho, Vera; Haurie, Laia; Formosa Mitjans, Joan; Velasco, José Ignacio
6-Feb-2019Cork as a sustainable carbon source for nature-based solutions treating hydroponic wastewaters - Preliminary batch studiesCastellar, J.A.C.; Formosa Mitjans, Joan; Fernández Renna, Ana Inés; Jové, Patricia; Gonzáles Bosch, Montserrat; Morató, Jordi; Brix, Hans; Arias, Carlos Alberto
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 1059