Publicacións en colaboración con investigadores/as de University of Oxford (11)

2023

  1. Building a community-driven ecosystem for fast, reproducible, and reusable molecular simulation analysis using mdanalysis

    Biophysical journal, Vol. 122, Núm. 3S1

  2. Safe drugs with high potential to block malaria transmission revealed by a spleen-mimetic screening

    Nature Communications, Vol. 14, Núm. 1

2021

  1. Discovery of SARS-CoV-2 Mpropeptide inhibitors from modelling substrate and ligand binding

    Chemical Science, Vol. 12, Núm. 41, pp. 13686-13703

  2. Martini 3: a general purpose force field for coarse-grained molecular dynamics

    Nature Methods, Vol. 18, Núm. 4, pp. 382-388

2020

  1. Cloud computing for climate modelling: Evaluation, challenges and benefits

    Computers, Vol. 9, Núm. 2, pp. 1-19

2019

  1. Sharing Data from Molecular Simulations

    Journal of Chemical Information and Modeling

2018

  1. Multiscale analysis of enantioselectivity in enzyme-catalysed ‘lethal synthesis’ using projector-based embedding

    Royal Society Open Science, Vol. 5, Núm. 2

2017

  1. Enabling BOINC in infrastructure as a service cloud system

    Geoscientific Model Development, Vol. 10, Núm. 2, pp. 811-826

  2. The IceCube Neutrino Observatory: Instrumentation and online systems

    Journal of Instrumentation, Vol. 12, Núm. 3

2009

  1. The IceCube data acquisition system: Signal capture, digitization, and timestamping

    Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 601, Núm. 3, pp. 294-316

2006

  1. Message from HPSEC workshop co-chairs

    Proceedings of the International Conference on Parallel Processing Workshops