Publikationen (8) Publikationen von JONATHAN BARNOUD

2023

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

    Biophysical journal, Vol. 122, Núm. 3S1

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

    Scientific Reports, Vol. 13, Núm. 1

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

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

2020

  1. 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

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

    ACM SIGGRAPH 2020 Immersive Pavilion, SIGGRAPH 2020