Jonathan Barnoud

According to our database, Jonathan Barnoud authored at least 6 papers between 2014 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

Martinize2 and Vermouth: Unified Framework for Topology Generation.

Peter C. Kroon, Fabian Grünewald, Jonathan Barnoud, Marco van Tilburg, Paulo C. T. Souza, Tsjerk A. Wassenaar, Siewert-Jan Marrink

CoRR, 2022

2020

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

Helen M. Deeks, Rebecca Walters, Jonathan Barnoud, David R. Glowacki, Adrian J. Mulholland

J. Chem. Inf. Model., 2020

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

Alexander D. Jamieson-Binnie, Michael B. O'Connor, Jonathan Barnoud, Mark D. Wonnacott, Simon J. Bennie, David R. Glowacki

Proceedings of the SIGGRAPH 2020: Special Interest Group on Computer Graphics and Interactive Techniques Conference, 2020

2019

Sharing Data from Molecular Simulations.

Mark James Abraham, Rossen Apostolov, Jonathan Barnoud, Paul Bauer, Christian Blau, Alexandre M. J. J. Bonvin, Matthieu Chavent, John D. Chodera, Karmen Condic-Jurkic, Lucie Delemotte, Helmut Grubmüller, Rebecca J. Howard, E. Joseph Jordan, Erik Lindahl, Samuli Ollila, Jana Selent, Daniel G. A. Smith, Phillip J. Stansfeld, Johanna K. S. Tiemann, Mikaël Trellet, Christopher J. Woods, Artem A. Zhmurov

J. Chem. Inf. Model., 2019

2016

MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations.

Richard J. Gowers, Max Linke, Jonathan Barnoud, Tyler J. E. Reddy, Manuel N. Melo, Sean L. Seyler, Jan J. Domanski, David L. Dotson, Sébastien Buchoux, Ian M. Kenney, Oliver Beckstein

Proceedings of the 15th Python in Science Conference 2016 (SciPy 2016), Austin, Texas, July 11, 2016

2014

Hydrophobic Compounds Reshape Membrane Domains.

Jonathan Barnoud, Giulia Rossi, Siewert J. Marrink, Luca Monticelli

PLoS Comput. Biol., 2014