Publications (11) Publications in which a researcher has participated

2024

  1. CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed

    Journal of Physical Chemistry B

  2. Measuring the Limit of Perception of Bond Stiffness of Interactive Molecules in VR via a Gamified Psychophysics Experiment

    Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

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. Interactive molecular dynamics in virtual reality for modelling materials and catalysts

    Journal of Molecular Graphics and Modelling, Vol. 125

  4. Martini 3 Coarse-Grained Force Field for Cholesterol

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

  5. VR models of death and psychedelics: an aesthetic paradigm for design beyond day-to-day phenomenology

    Frontiers in Virtual Reality, Vol. 4

2022

  1. Calculating Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds

    ACS Earth and Space Chemistry, Vol. 6, Núm. 1, pp. 207-217

  2. Group VR experiences can produce ego attenuation and connectedness comparable to psychedelics

    Scientific Reports, Vol. 12, Núm. 1

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

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

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

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