Surviving the deluge of biosimulation data von Hospital, Adam, Battistini, Federica, Soliva, Robert, Gelpí, Josep Lluis, Orozco, Modesto

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PMUT: a web-based tool for the annotation of pathological mutations on proteins von Ferrer-Costa, Carles, Gelpí, Josep Lluis, Zamakola, Leire, Parraga, Ivan, de la Cruz, Xavier, Orozco, Modesto

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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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PACSAB: Coarse-Grained Force Field for the Study of Protein–Protein Interactions and Conformational Sampling in Multiprotein Systems von Emperador, Agustí, Sfriso, Pedro, Villarreal, Marcos Ariel, 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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Long-timescale dynamics of the Drew-Dickerson dodecamer von Dans, Pablo D, Danilāne, Linda, Ivani, Ivan, Dršata, Tomáš, Lankaš, Filip, Hospital, Adam, Walther, Jürgen, Pujagut, Ricard Illa, Battistini, Federica, Gelpí, Josep Lluis, Lavery, Richard, Orozco, Modesto

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The Multiple Roles of Waters in Protein Solvation von Hospital, Adam, Candotti, Michela, Gelpí, Josep Lluís, Orozco, Modesto

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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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Bioactive Conformational Ensemble Server and Database. A Public Framework to Speed Up In Silico Drug Discovery von Zivanovic, Sanja, Bayarri, Genís, Colizzi, Francesco, Moreno, David, Gelpí, Josep Lluís, Soliva, Robert, Hospital, Adam, 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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MoDEL (Molecular Dynamics Extended Library): A Database of Atomistic Molecular Dynamics Trajectories von Meyer, Tim, D'Abramo, Marco, Hospital, Adam, Rueda, Manuel, Ferrer-Costa, Carles, Pérez, Alberto, Carrillo, Oliver, Camps, Jordi, Fenollosa, Carles, Repchevsky, Dmitry, Gelpí, Josep Lluis, Orozco, Modesto

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High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from... von Suriñach, Aristarc, Hospital, Adam, Westermaier, Yvonne, Jordà, Luis, Orozco-Ruiz, Sergi, Beltrán, Daniel, Colizzi, Francesco, Andrio, Pau, Soliva, Robert, Municoy, Martí, Gelpí, Josep Lluís, 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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Effects of cadmium and mercury on the upper part of skeletal muscle glycolysis in mice von Ramírez-Bajo, Maria José, de Atauri, Pedro, Ortega, Fernando, Westerhoff, Hans V, Gelpí, Josep Lluis, Centelles, Josep J, Cascante, Marta

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FlexServ: an integrated tool for the analysis of protein flexibility von Camps, Jordi, Carrillo, Oliver, Emperador, Agustí, Orellana, Laura, Hospital, Adam, Rueda, Manuel, Cicin-Sain, Damjan, D'Abramo, Marco, Gelpí, Josep Lluís, Orozco, Modesto

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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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Exploring early stages of the chemical unfolding of proteins at the proteome scale von Candotti, Michela, Pérez, Alberto, Ferrer-Costa, Carles, Rueda, Manuel, Meyer, Tim, Gelpí, Josep Lluís, Orozco, Modesto

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Risk variants for psoriasis vulgaris in a large case-control collection and association with clinical subphenotypes von JULIA, Antonio, TORTOSA, Raül, RODRIGUEZ, Jesus, GRATACOS, Jordi, DAUDEN, Esteban, SANCHEZ-CARAZO, José Luís, LOPEZ-ESTEBARANZ, José Luís, MORENO-RAMIREZ, David, QUEIRO, Rubén, MONTILLA, Carlos, TORRE-ALONSO, Juan Carlos, PEREZ-VENEGAS, José Javier, HERNANZ, José Manuel, VANACLOCHA, Francisco, HERRERA, Enrique, MUNOZ-FERNANDEZ, Santiago, GONZALEZ, Carlos, ROIG, Daniel, ERRA, Alba, ACOSTA, Isabel, FERNANDEZ-NEBRO, Antonio, ZARCO, Pedro, ALONSO, Arnald, CANETE, Juan D, LOPEZ-LASANTA, Maria, GARCIA-MONTERO, Andrés, LLUIS GELPI, Josep, ABSHER, Devin, MARSAL, Sara, FONSECA, Eduardo, FERRANDIZ, Carlos, UNAMUNO, Pablo, PUIG, Lluís, FERNANDEZ-SUEIRO, José Luís, SANMARTI, Raimon

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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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Inntags: small self-structured epitopes for innocuous protein tagging von Georgieva, Maya V, Yahya, Galal, Codó, Laia, Ortiz, Raúl, Teixidó, Laura, Claros, José, Jara, Ricardo, Jara, Mònica, Iborra, Antoni, Gelpí, Josep Lluís, Gallego, Carme, Orozco, Modesto, Aldea, Martí

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