Browsing by Author Hospital Gasch, Adam

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Showing results 1 to 17 of 17
Issue DateTitleAuthor(s)
4-Jan-2016BIGNASim: A NoSQL database structure and analysis portal for nucleic acids simulation dataHospital 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-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
2-May-2022BioExcel 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-2019BioExcel 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-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
28-Nov-2016DNA 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-2020Exploring the Conformational Landscape of Bioactive Small MoleculesZivanovic, Sanja; Colizzi, Francesco; Moreno, David; Hospital Gasch, Adam; Soliva, Robert; Orozco López, Modesto
13-Oct-2014High Throughput Computational Studies of Macromolecular Structure FlexibilityHospital Gasch, Adam
14-Jan-2017How 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-2016Long-timescale dynamics of the Drew-Dickerson dodecamerDans, 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-2015Molecular dynamics study of natural existing cavity couplings in proteinsBarbany, Montserrat; Meyer, Tim; Hospital Gasch, Adam; Faustino Pló, Ignacio; D´Abramo, Marco; Morata Chirivella, Jordi; Orozco López, Modesto; Cruz, Xavier de la
Jan-2016Parmbsc1: A refined force-field for DNA simulationsIvani, 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-2019Predicting the Limit of Intramolecular Hydrogen Bonding with Classical Molecular DynamicsColizzi, Francesco; Hospital Gasch, Adam; Zivanovic, Sanja; Orozco López, Modesto
13-Dec-2016Small Details Matter: The 2'-Hydroxyl as a Conformational Switch in RNADarré, Leonardo; Ivani, Ivan; Dans, Pablo D.; Gómez, Hansel; Hospital Gasch, Adam; Orozco López, Modesto
6-Jan-2017The multiple roles of waters in protein solvationHospital Gasch, Adam; Candotti, Michela; Gelpí Buchaca, Josep Lluís; Orozco López, Modesto
7-Dec-2016The Role of Unconventional Hydrogen Bonds in Determining BII Propensities in B-DNABalaceanu, Alexandra; Pasi, Marco; Dans, Pablo D.; Hospital Gasch, Adam; Lavery, Richard; Orozco López, Modesto
18-Oct-2019The static and dynamic structural heterogeneities of B-DNA: extending Calladine-Dickerson rulesDans, 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