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| Issue Date | Title | Author(s) |
|---|---|---|
| 6-Aug-2020 | Bioactive 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 |
| 1-Jan-2023 | A new paradigm for molecular dynamics databases: the COVID-19 database, the legacy of a titanic community effort | Beltrán, Daniel; Hospital Gasch, Adam; Gelpí Buchaca, Josep Lluís; Orozco López, Modesto |
| 10-Jul-2020 | Exploring the Conformational Landscape of Bioactive Small Molecules | Zivanovic, Sanja; Colizzi, Francesco; Moreno, David; Hospital Gasch, Adam; Soliva, Robert; Orozco López, Modesto |
| 28-Aug-2020 | DFFR: A New Method for High-Throughput Recalibration of Automatic Force-Fields for Drugs | Moreno, David; Zivanovic, Sanja; Colizzi, Francesco; Hospital Gasch, Adam; Aranda, Juan; Soliva, Robert; Orozco López, Modesto |
| 28-Dec-2022 | High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations | Suriñach, 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 |
| 13-Dec-2016 | Small Details Matter: The 2'-Hydroxyl as a Conformational Switch in RNA | Darré, Leonardo; Ivani, Ivan; Dans, Pablo D.; Gómez, Hansel; Hospital Gasch, Adam; Orozco López, Modesto |
| 7-Dec-2016 | The Role of Unconventional Hydrogen Bonds in Determining BII Propensities in B-DNA | Balaceanu, Alexandra; Pasi, Marco; Dans, Pablo D.; Hospital Gasch, Adam; Lavery, Richard; Orozco López, Modesto |
| 6-Jan-2017 | The multiple roles of waters in protein solvation | Hospital Gasch, Adam; Candotti, Michela; Gelpí Buchaca, Josep Lluís; Orozco López, Modesto |
| 28-Nov-2016 | DNA structure directs positioning of the mitochondrial genome packaging protein Abf2p. | Chakraborty, Arka; Lyonnais, Sébastien; Battistini, Federica; Hospital Gasch, Adam; Medici, Giorgio; Prohens López, Rafael; Orozco López, Modesto; Vilardell, Josep; Solà Vilarrubias, Maria |
| 14-Jan-2017 | How accurate are accurate force-fields for B-DNA? | Dans, Pablo D.; Ivani, Ivan; Hospital Gasch, Adam; Portella, Guillem; González, Carlos; Orozco López, Modesto |
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