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2023

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

Journal of Chemical Information and Modeling

A. Suriñach, A. Hospital, Y. Westermaier, L. Jordá, S. Orozco-Ruiz, D. Beltrán, F. Colizzi, P. Andrio, R. Soliva, M. Municoy, J. Lluis Gelpí, and M. Orozco

2022

Detection of early seeding of Richter transformation in chronic lymphocytic leukemia

Nature Medicine

F. Nadeu, R. Royo, R. Massoni-Badosa, H. Playa-Albinyana, B. Garcia-Torre, M. Duran-Ferrer, K. J. Dawson, M. Kulis, A. Diaz-Navarro, N. Villamor, J. L. Melero, V. Chapaprieta, A. Dueso-Barroso, J. Delgado, R. Moia, S. Ruiz-Gil, D. Marchese, A. Giró, N. Verdaguer-Dot, M. Romo, G. Clot, M. Rozman, G. Frigola, A. Rivas-Delgado, T. Baumann, M. Alcoceba, M. González, F. Climent, P. Abrisqueta, J. Castellví, F. Bosch, M. Aymerich, A. Enjuanes, S. Ruiz-Gaspà, A. López-Guillermo, P. Jares, S. Beà, S. Capella-Gutierrez, J. Ll. Gelpi, N. López-Bigas, D. Torrents, P. J. Campbell, I. Gut, D. Rossi, G. Gaidano, X. S. Puente, P. M. Garcia-Roves, D. Colomer, H. Heyn, F. Maura, J. I. Martin-Subero, and E. Campo
Pre-exascale HPC approaches for molecular dynamics simulations. Covid-19 research: A use case

WIREs Computational Molecular Science

M. Wieczór, V. Genna, J. Aranda, R. M. Badia, J. Lluis Gelpí, V. Gapsys, B. L. de Groot, E. Lindahl, M. Municoy, A. Hospital, and M. Orozco
ATM germline variants in a young adult with chronic lymphocytic leukemia: 8 years of genomic evolution

Blood Cancer Journal

R. Royo, L. Magnano, J. Delgado, S. Ruiz-Gil, J. Ll. Gelpi, H. Heyn, M. A. Taylor, T. Stankovic, X. S. Puente, F. Nadeu, and E. Campo
BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations

Nucleic Acids Research

G. Bayarri, P. Andrio, A. Hospital, M. Orozco, and J. Lluis Gelpí
BioExcel Building Blocks REST API (BioBB REST API), programmatic access to interoperable biomolecular simulation

Bioinformatics

G. Bayarri, P. Andrio, A. Hospital, M. Orozco, and J. Lluis Gelpí

2021

An agenda-setting paper on data sharing platforms: euCanSHare workshop

Open Research Europe

T. Devriendt, C. Ammann, F. W. Asselbergs, A. Bernier, R. Costas, M. G. Friedrich, J. L. Gelpí, M-R. Jarvelin, K. Kuulasmaa, K. Lekadir, M. Th. Mayrhofer, V. Papez, G. Pasterkamp, S. E. Petersen, C. Oliver Schmidt, J. Schulz-Menger, S. Söderberg, M. Shabani, G. Veronesi, D. Steven Viezzer, and P. Borry
Identifying causative mechanisms linking early-life stress to psycho-cardio-metabolic multi-morbidity: The EarlyCause project

PLOS ONE

N. Mariani, A. Borsini, C. A. M. Cecil, J. F. Felix, S. Sebert, A. Cattaneo, E. Walton, Y. Milaneschi, G. Cochrane, C. Amid, J. Rajan, J. Giacobbe, Y. Sanz, A. Agustí, T. Sorg, Y. Herault, J. Miettunen, P. Parmar, N. Cattane, V. Jaddoe, J. Lötjönen, C. Buisan, M. A. Gonzál Ballester, G. Piella, J. L. Gelpí, F. Lamers, B. W. J. H. Penninx, H. Tiemeier, M. von Tottleben, R. Thiel, K. F. Heil, M-R. Jarvelin, C. Pariante, I. M. Mansuy, and K. Lekadir

2020

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