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Results 1-10 of 14 (Search time: 0.025 seconds).
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Issue DateTitleAuthor(s)
6-Aug-2020Bioactive conformational ensemble server and database. A public framework to speed up in silico drug discovery.Zivanovic, Sanja; Bayarri, Genís; Colizzi, Francesco; Moreno, David; Gelpí Buchaca, Josep Lluís; Soliva, Robert; Hospital Gasch, Adam; Orozco López, Modesto
11-Jul-2022The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutationGinex, Tiziana; Marco Marín, Clara; Wieczór, Miłosz; Mata, Carlos P.; Krieger, James; Ruiz Rodriguez, Paula; López Redondo, Maria Luisa; Francés Gómez, Clara; Melero, Roberto; Sánchez Sorzano, Carlos Óscar; Martínez, Marta; Gougeard, Nadine; Forcada Nadal, Alicia; Zamora Caballero, Sara; Gozalbo Rovira, Roberto; Sanz Frasquet, Carla; Arranz, Rocío; Bravo, Jeronimo; Rubio, Vicente; Marina, Alberto; Geller, Ron; Comas, Iñaki; Gil, Carmen; Coscolla, Mireia; Orozco López, Modesto; Llácer, José Luis; Carazo, Jose Maria; The IBV Covid19 Pipeline
7-May-20204D Genome rewiring during oncogene-induced and replicative senescendeSati, Satish; Bonev, Boyan; Szabo, Quentin; Jost, Daniel; Bensadoun, Paul; Serra, Francois; Loubiere, Vincent; Papadopoulos, Giorgio Lucio; Rivera-Mulia, Juan-Carlos; Frisch, Lauriane; Bouret, Pauline; Castillo, David; Gelpí Buchaca, Josep Lluís; Orozco López, Modesto; Vaillant, Cedric; Pellestor, Franck; Bantignies, Frederic; Marti Renom, Marc A.; Gilbert, David M.; Lemaitre, Jean-Marc; Cavalli, Giacomo
1-Jan-2023A new paradigm for molecular dynamics databases: the COVID-19 database, the legacy of a titanic community effortBeltrán, Daniel; Hospital Gasch, Adam; Gelpí Buchaca, Josep Lluís; Orozco López, Modesto
11-Apr-2023Correlated motions in DNA. Beyond base-pair step models of DNA flexibilityLópez-Güell, Kim; Battistini, Federica; Orozco López, Modesto
1-Jan-2023Structural basis of a redox-dependent conformational switch that regulates the stress kinase p38αPous, Joan; Bagiński, Błażej Mikołaj; Martín Malpartida, Pau; González, Lorena; Scarpa, Margherita; Aragón Altarriba, Eric; Ruiz, Lidia; Mees, Rebeca A.; Iglesias Fernández, Javier; Orozco López, Modesto; Nebreda, Àngel R.; Macias, Maria Jesus
10-Jul-2020Exploring the Conformational Landscape of Bioactive Small MoleculesZivanovic, Sanja; Colizzi, Francesco; Moreno, David; Hospital Gasch, Adam; Soliva, Robert; Orozco López, Modesto
28-Aug-2020DFFR: A New Method for High-Throughput Recalibration of Automatic Force-Fields for DrugsMoreno, David; Zivanovic, Sanja; Colizzi, Francesco; Hospital Gasch, Adam; Aranda, Juan; Soliva, Robert; Orozco López, Modesto
17-Feb-2023Omicron Mutations Increase Interdomain Interactions and Reduce Epitope Exposure in the SARS-CoV-2 SpikeWieczór, Milosz; Tang, Phu K.; Orozco López, Modesto; Cossio, Pilar
28-Dec-2022High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic SimulationsSuriñach, Aristarc; Hospital Gasch, Adam; Westermaier, Yvonne; Jordà Bordoy, Luis; Orozco Ruiz, Sergi; Beltrán, Daniel; Colizzi, Francesco; Andrio, Pau; Soliva, Robert; Municoy, Martí; Gelpi Buchaca, Josep Lluís; Orozco López, Modesto