Browsing by Author Hospital Gasch, Adam
Showing results 1 to 19 of 19
| Issue Date | Title | Author(s) |
|---|---|---|
| 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 |
| 4-Jan-2016 | BIGNASim: A NoSQL database structure and analysis portal for nucleic acids simulation data | Hospital Gasch, Adam; Andrio, Pau; Cugnasco, Cesare; Codo, Laia; Becerra, Yolanda; Dans, Pablo D.; Battistini, Federica; Torres, Jordi; Goñi Macià, Josep Ramon; Orozco López, Modesto; Gelpí Buchaca, Josep Lluís |
| 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 |
| 2-May-2022 | BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based plartform for biomolecular simulations. | Bayarri, Genís; Andrio, Pau; Hospital Gasch, Adam; Orozco López, Modesto; Gelpi Buchaca, Josep Lluís |
| 10-Sep-2019 | BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows. | Andrio, Pau; Hospital Gasch, Adam; Conejero, Javier; Jordá, Luis; Del Pino, Marc; Codo, Laia; Soiland-Reyes, Stian; Goble, Carole; Lezzi, Daniele; Badia, Rosa M.; Orozco López, Modesto; Gelpí Buchaca, Josep Lluís |
| 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-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, Maria |
| 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 |
| 13-Oct-2014 | High Throughput Computational Studies of Macromolecular Structure Flexibility | Hospital Gasch, Adam |
| 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 |
| 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 |
| 15-Apr-2016 | Long-timescale dynamics of the Drew-Dickerson dodecamer | Dans, Pablo D.; Danilāne, Linda; Ivani, Ivan; Dršata, Tomáš; Lankaš, Filip; Hospital Gasch, Adam; Walther, Jürgen; Illa Pujagut, Ricard; Battistini, Federica; Gelpí Buchaca, Josep Lluís; Lavery, Richard; Orozco López, Modesto |
| 27-Mar-2015 | Molecular dynamics study of natural existing cavity couplings in proteins | Barbany, Montserrat; Meyer, Tim; Hospital Gasch, Adam; Faustino Pló, Ignacio; D´Abramo, Marco; Morata Chirivella, Jordi; Orozco López, Modesto; Cruz, Xavier de la |
| Jan-2016 | Parmbsc1: A refined force-field for DNA simulations | Ivani, Ivan; Dans, Pablo D.; Noy Freixa, Agnès; Pérez, Alberto; Faustino Pló, Ignacio; Hospital Gasch, Adam; Walther, Jürgen; Andrio, Pau; Goñi Macià, Josep Ramon; Balaceanu, Alexandra; Portella, Guillem; Battistini, Federica; Gelpí Buchaca, Josep Lluís; González, Carlos; Vendruscolo, Michele; Laughton, Charles A.; Harris, Sarah A.; Case, David A.; Orozco López, Modesto |
| 25-Jan-2019 | Predicting the Limit of Intramolecular Hydrogen Bonding with Classical Molecular Dynamics | Colizzi, Francesco; Hospital Gasch, Adam; Zivanovic, Sanja; 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 |
| 6-Jan-2017 | The multiple roles of waters in protein solvation | Hospital Gasch, Adam; Candotti, Michela; Gelpí Buchaca, Josep Lluís; 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 |
| 18-Oct-2019 | The static and dynamic structural heterogeneities of B-DNA: extending Calladine-Dickerson rules | Dans, Pablo D.; Balaceanu, Alexandra; Pasi, Marco; Patelli, Alessandro S.; Petkeviciute, Daiva; Walther, Jürgen; Hospital Gasch, Adam; Bayarri, Genís; Lavery, Richard; Maddocks, J.; Orozco López, Modesto |