Parmbsc1: a refined force field for DNA simulations von Ivani, Ivan, Dans, Pablo D, Noy, Agnes, Pérez, Alberto, Faustino, Ignacio, Hospital, Adam, Walther, Jürgen, Andrio, Pau, Goñi, Ramon, Balaceanu, Alexandra, Portella, Guillem, Battistini, Federica, Gelpí, Josep Lluis, González, Carlos, Vendruscolo, Michele, Laughton, Charles A, Harris, Sarah A, Case, David A, Orozco, Modesto

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A multi-modal coarse grained model of DNA flexibility mappable to the atomistic level von Walther, Jürgen, Dans, Pablo D, Balaceanu, Alexandra, Hospital, Adam, Bayarri, Genís, Orozco, Modesto

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How accurate are accurate force-fields for B-DNA? von Dans, Pablo D, Ivani, Ivan, Hospital, Adam, Portella, Guillem, González, Carlos, Orozco, Modesto

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MDWeb and MDMoby: an integrated web-based platform for molecular dynamics simulations von HOSPITAL, Adam, ANDRIO, Pau, FENOLLOSA, Carles, CICIN-SAIN, Damjan, OROZCO, Modesto, LLUIS GELPI, Josep

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Using interactive Jupyter Notebooks and BioConda for FAIR and reproducible biomolecular simulation workflows von Bayarri, Genís, Andrio, Pau, Gelpí, Josep Lluís, Hospital, Adam, Orozco, Modesto

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DNA structure directs positioning of the mitochondrial genome packaging protein Abf2p von Chakraborty, Arka, Lyonnais, Sébastien, Battistini, Federica, Hospital, Adam, Medici, Giorgio, Prohens, Rafel, Orozco, Modesto, Vilardell, Josep, Solà, Maria

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BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data von Hospital, Adam, Andrio, Pau, Cugnasco, Cesare, Codo, Laia, Becerra, Yolanda, Dans, Pablo D, Battistini, Federica, Torres, Jordi, Goñi, Ramón, Orozco, Modesto, Gelpí, Josep Ll

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3dRS, a Web-Based Tool to Share Interactive Representations of 3D Biomolecular Structures and Molecular Dynamics Trajectories von Bayarri, Genís, Hospital, Adam, Orozco, Modesto

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Small Details Matter: The 2′-Hydroxyl as a Conformational Switch in RNA von Darré, Leonardo, Ivani, Ivan, Dans, Pablo D, Gómez, Hansel, Hospital, Adam, Orozco, Modesto

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consensus view of protein dynamics von Rueda, Manuel, Ferrer-Costa, Carles, Meyer, Tim, Pérez, Alberto, Camps, Jordi, Hospital, Adam, Gelpí, Josep Lluis, Orozco, Modesto

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Making Canonical Workflow Building Blocks Interoperable across Workflow Languages von Soiland-Reyes, Stian, Bayarri, Genís, Andrio, Pau, Long, Robin, Lowe, Douglas, Niewielska, Ania, Hospital, Adam, Groth, Paul

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Molecular dynamics study of naturally existing cavity couplings in proteins von Barbany, Montserrat, Meyer, Tim, Hospital, Adam, Faustino, Ignacio, D'Abramo, Marco, Morata, Jordi, Orozco, Modesto, de la Cruz, Xavier

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Finding Conformational Transition Pathways from Discrete Molecular Dynamics Simulations von Sfriso, Pedro, Emperador, Agusti, Orellana, Laura, Hospital, Adam, Gelpí, Josep Lluis, Orozco, Modesto

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NAFlex: a web server for the study of nucleic acid flexibility von Hospital, Adam, Faustino, Ignacio, Collepardo-Guevara, Rosana, González, Carlos, Gelpí, Josep Lluis, Orozco, Modesto

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BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations von Bayarri, Genís, Andrio, Pau, Hospital, Adam, Orozco, Modesto, Gelpí, Josep Lluís

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A community proposal to integrate structural bioinformatics activities in ELIXIR (3D-Bioinfo Community) von Orengo, Christine, Velankar, Sameer, Wodak, Shoshana, Zoete, Vincent, Bonvin, Alexandre M.J.J., Elofsson, Arne, Feenstra, K. Anton, Gerloff, Dietland L., Hamelryck, Thomas, Hancock, John M., Helmer-Citterich, Manuela, Hospital, Adam, Orozco, Modesto, Perrakis, Anastassis, Rarey, Matthias, Soares, Claudio, Sussman, Joel L., Thornton, Janet M., Tuffery, Pierre, Tusnady, Gabor, Wierenga, Rikkert, Salminen, Tiina, Schneider, Bohdan

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Sequence-Dependent Properties of the RNA Duplex von Battistini, Federica, Sala, Alba, Hospital, Adam, Orozco, Modesto

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A new paradigm for molecular dynamics databases: the COVID-19 database, the legacy of a titanic community effort von Beltrán, Daniel, Hospital, Adam, Gelpí, Josep Lluís, Orozco, Modesto

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MD-DATA: the legacy of the ABC Consortium von Hospital, Adam, Orozco, Modesto

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Predicting the Limit of Intramolecular Hydrogen Bonding with Classical Molecular Dynamics von Colizzi, Francesco, Hospital, Adam, Zivanovic, Sanja, Orozco, Modesto

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