Jonathan Barnoud
Groningen, GR, Netherlands
Last Updated: 09/26/2026
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Found 26 publications
Martinize2 and Vermouth provide a unified framework for molecular topology generation.
Journal: eLife
Published: November 20, 2025
Martini 3 Coarse-Grained Force Field for Cholesterol.
Journal: Journal of chemical theory and computation
Published: October 05, 2023
Free energy along drug-protein binding pathways interactively sampled in virtual reality.
Journal: Scientific reports
Published: June 30, 2023
The emerging potential of interactive virtual reality in drug discovery.
Journal: Expert opinion on drug discovery
Published: May 31, 2022
Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease.
Journal: Journal of chemical information and modeling
Published: November 11, 2020
Titratable Martini model for constant pH simulations.
Journal: The Journal of chemical physics
Published: July 17, 2020
Coupling Coarse-Grained to Fine-Grained Models via Hamiltonian Replica Exchange.
Journal: Journal of chemical theory and computation
Published: June 23, 2020
Martini 3: a general purpose force field for coarse-grained molecular dynamics.
Journal: Nature methods
Published: June 16, 2020
Piezo1 Forms Specific, Functionally Important Interactions with Phosphoinositides and Cholesterol.
Journal: Biophysical journal
Published: May 20, 2020
Size-dependent aggregation of hydrophobic nanoparticles in lipid membranes.
Journal: Nanoscale
Published: April 25, 2020
Dual Resolution Membrane Simulations Using Virtual Sites.
Journal: The journal of physical chemistry. B
Published: April 22, 2020
Capturing Choline-Aromatics Cation-π Interactions in the MARTINI Force Field.
Journal: Journal of chemical theory and computation
Published: February 26, 2020
Last Updated: 09/26/2026