Adam Hospital Gasch

2023

• A new paradigm for molecular dynamics databases: the COVID-19 database, the legacy of a titanic community effort

  Nucleic Acids Research

  D. Beltrán, A. Hospital, J. Lluis Gelpí, and M. Orozco
• 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

• 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
• 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

2020

• Bioactive Conformational Ensemble Server and Database. A Public Framework to Speed Up In Silico Drug DiscoveryBioactive Conformational Ensemble Server and Database. A Public Framework to Speed Up In Silico Drug Discovery

  Journal of Chemical Theory and Computation

  S. Zivanovic, G. Bayarri, F. Colizzi, D. Moreno, J. Lluis Gelpí, R. Soliva, A. Hospital, and M. Orozco

2019

• Surviving the deluge of biosimulation data

  Wiley Interdisciplinary Reviews: Computational Molecular Science

  A. Hospital, F. Battistini, R. Soliva, J. Lluis Gelpí, and M. Orozco
• How B-DNA Dynamics Decipher Sequence-Selective Protein Recognition

  Journal of Molecular Biology

  F. Battistini, A. Hospital, D. Buitrago, D. Gallego, P. D. Dans, J. Lluis Gelpí, and M. Orozco
• Nucleosome Dynamics: a new tool for the dynamic analysis of nucleosome positioningAbstract

  Nucleic Acids Research

  D. Buitrago, L. Codó, R. Illa, P. de Jorge, F. Battistini, O. Flores, G. Bayarri, R. Royo, M. Del Pino, S. Heath, A. Hospital, J. Lluis Gelpí, I. Brun Heath, and M. Orozco
• BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows

  Scientific Data

  P. Andrio, A. Hospital, J. Conejero, L. Jordá, M. Del Pino, L. Codó, S. Soiland-Reyes, C. Goble, D. Lezzi, R. M. Badia, M. Orozco, and J. Ll. Gelpi