Publications by authors named "Adam Hospital"

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CGeNArateWeb: a web server for the atomistic study of the structure and dynamics of chromatin fibers.
David Farré-Gil, Genis Bayarri, Charles A Laughton, Adam Hospital, Modesto Orozco

Nucleic Acids Res· July 2025

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The need to implement FAIR principles in biomolecular simulations.
Rommie E Amaro, Johan Åqvist, Ivet Bahar, Federica Battistini, Adam Bellaiche, Adam Hospital

Nat Methods· April 2025

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Systematic study of hybrid triplex topology and stability suggests a general triplex-mediated regulatory mechanism.
Vito Genna, Guillem Portella, Alba Sala, Montserrat Terrazas, Israel Serrano-Chacón, Adam Hospital

Nucleic Acids Res· February 2025

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Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange.
Matthew L Evans, Johan Bergsma, Andrius Merkys, Casper W Andersen, Oskar B Andersson, Adam Hospital

Digit Discov· August 2024

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

PLoS Comput Biol· June 2024

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

Biophys Rev· June 2024

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

Nucleic Acids Res· January 2024

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

J Chem Inf Model· August 2023

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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 Atomistic Simulations.
Aristarc Suriñach, Adam Hospital, Yvonne Westermaier, Luis Jordà, Sergi Orozco-Ruiz

J Chem Inf Model· January 2023

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

Nucleic Acids Res· July 2022

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BioExcel Building Blocks REST API (BioBB REST API), programmatic access to interoperable biomolecular simulation tools.
Genís Bayarri, Pau Andrio, Adam Hospital, Modesto Orozco, Josep Lluís Gelpí

Bioinformatics· June 2022

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Pre-exascale HPC approaches for molecular dynamics simulations. Covid-19 research: A use case.
Miłosz Wieczór, Vito Genna, Juan Aranda, Rosa M Badia, Josep Lluís Gelpí, Adam Hospital

Wiley Interdiscip Rev Comput Mol Sci· May 2022

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Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?
Gabriela da Rosa, Leandro Grille, Victoria Calzada, Katya Ahmad, Juan Pablo Arcon, Adam Hospital

Biophys Rev· December 2021

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

Front Mol Biosci· August 2021

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Molywood: streamlining the design and rendering of molecular movies.
Miłosz Wieczór, Adam Hospital, Genis Bayarri, Jacek Czub, Modesto Orozco

Bioinformatics· November 2020

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Exploring the Conformational Landscape of Bioactive Small Molecules.
Sanja Zivanovic, Francesco Colizzi, David Moreno, Adam Hospital, Robert Soliva

J Chem Theory Comput· October 2020

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Bioactive Conformational Ensemble Server and Database. A Public Framework to Speed Up Drug Discovery.
Sanja Zivanovic, Genís Bayarri, Francesco Colizzi, David Moreno, Josep Lluís Gelpí, Adam Hospital

J Chem Theory Comput· October 2020

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DFFR: A New Method for High-Throughput Recalibration of Automatic Force-Fields for Drugs.
David Moreno, Sanja Zivanovic, Francesco Colizzi, Adam Hospital, Juan Aranda

J Chem Theory Comput· October 2020

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A community proposal to integrate structural bioinformatics activities in ELIXIR (3D-Bioinfo Community).
Christine Orengo, Sameer Velankar, Shoshana Wodak, Vincent Zoete, Alexandre M J J Bonvin, Adam Hospital

F1000Res· July 2020

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

Nucleic Acids Res· March 2020

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The static and dynamic structural heterogeneities of B-DNA: extending Calladine-Dickerson rules.
Pablo D Dans, Alexandra Balaceanu, Marco Pasi, Alessandro S Patelli, Daiva Petkevičiūtė, Adam Hospital

Nucleic Acids Res· December 2019

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Nucleosome Dynamics: a new tool for the dynamic analysis of nucleosome positioning.
Diana Buitrago, Laia Codó, Ricard Illa, Pau de Jorge, Federica Battistini, Adam Hospital

Nucleic Acids Res· October 2019

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How B-DNA Dynamics Decipher Sequence-Selective Protein Recognition.
Federica Battistini, Adam Hospital, Diana Buitrago, Diego Gallego, Pablo D Dans

J Mol Biol· September 2019

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BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows.
Pau Andrio, Adam Hospital, Javier Conejero, Luis Jordá, Marc Del Pino

Sci Data· September 2019

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Oncogenic mutations at the EGFR ectodomain structurally converge to remove a steric hindrance on a kinase-coupled cryptic epitope.
Laura Orellana, Amy H Thorne, Rafael Lema, Johan Gustavsson, Alison D Parisian, Adam Hospital

Proc Natl Acad Sci U S A· May 2019

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