Publicacións en colaboración con investigadores/as de University of Bristol (20)

2023

  1. Free energy along drug-protein binding pathways interactively sampled in virtual reality

    Scientific Reports, Vol. 13, Núm. 1

  2. Martini 3 Coarse-Grained Force Field for Cholesterol

    Journal of chemical theory and computation, Vol. 19, Núm. 20, pp. 7387-7404

2022

  1. Martini 3 Coarse-Grained Force Field: Small Molecules

    Advanced Theory and Simulations, Vol. 5, Núm. 1

  2. The emerging potential of interactive virtual reality in drug discovery

    Expert Opinion on Drug Discovery, Vol. 17, Núm. 7, pp. 685-698

2021

  1. AutoMeKin2021: An open-source program for automated reaction discovery

    Journal of Computational Chemistry, Vol. 42, Núm. 28, pp. 2036-2048

  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

  2. Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease

    Journal of Chemical Information and Modeling, Vol. 60, Núm. 12, pp. 5803-5814

  3. Narupa iMD: A VR-Enabled Multiplayer Framework for Streaming Interactive Molecular Simulations

    ACM SIGGRAPH 2020 Immersive Pavilion, SIGGRAPH 2020

  4. Resolving Donor–Acceptor Interfaces and Charge Carrier Energy Levels of Organic Semiconductors with Polar Side Chains

    Advanced Functional Materials, Vol. 30, Núm. 46

  5. Sex and Ontogenetic Variation in the Crest of Numida meleagris: Implications for Crested Vertebrates

    Anatomical Record, Vol. 303, Núm. 4, pp. 1018-1034

  6. Titratable Martini model for constant pH simulations

    Journal of Chemical Physics, Vol. 153, Núm. 2

2019

  1. Sharing Data from Molecular Simulations

    Journal of Chemical Information and Modeling

2016

  1. Anisotropic Quantum Corrections for 3-D Finite-Element Monte Carlo Simulations of Nanoscale Multigate Transistors

    IEEE Transactions on Electron Devices, Vol. 63, Núm. 3, pp. 933-939

2015

  1. 3-D finite element monte carlo simulations of scaled Si SOI FinFET with different cross sections

    IEEE Transactions on Nanotechnology, Vol. 14, Núm. 1, pp. 93-100

2014

  1. 3D Monte Carlo Study of Scaled SOI FinFETs Using 2D Schrodinger Quantum Corrections

    2014 15TH INTERNATIONAL CONFERENCE ON ULTIMATE INTEGRATION ON SILICON (ULIS)

  2. 3D Monte Carlo study of scaled SOI FinFETs using 2D Schrödinger quantum corrections

    ULIS 2014 - 2014 15th International Conference on Ultimate Integration on Silicon

2004

  1. Comparative frameworks for directional primitive extraction

    Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), Vol. 3211, pp. 212-219

2002

  1. Perceptual primitives from an extended 4D Hough transform

    Image and Vision Computing, Vol. 20, Núm. 13-14, pp. 969-980

2000

  1. Grouping of directional features using an extended hough transform

    Proceedings - International Conference on Pattern Recognition, Vol. 15, Núm. 3, pp. 990-993