Nanoscale Design using Virtual Reality

Project Information

NANOVR

Grant agreement ID: 866559

DOI

10.3030/866559

EC signature date 17 February 2020

Start date 1 May 2022

End date 30 April 2027

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 1 988 168,00

EU contribution

€ 1 988 168,00

Coordinated by

UNIVERSIDAD DE SANTIAGO DE COMPOSTELA
Spain

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (7)

Exploring human-guided strategies for reaction network exploration: Interactive molecular dynamics in virtual reality as a tool for citizen scientists

Author(s): Robin J. Shannon, Helen M. Deeks, Eleanor Burfoot, Edward Clark, Alex J. Jones, Adrian J. Mulholland, David R. Glowacki
Published in: The Journal of Chemical Physics, Issue 155, 2025, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0062517

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

Author(s): H.M. Deeks, K. Zinovjev, J. Barnoud, A.J. Mulholland, M.W. van der Kamp, D.R. Glowacki
Published in: Nature Scientific Reports, 2023, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.48550/arxiv.2311.17925

A Perspective on AI-Guided Molecular Simulations in VR: Exploring Strategies for Imitation Learning in Hyperdimensional Molecular Systems

Author(s): Mohamed Dhouioui, Jonathan Barnoud, Rhoslyn Roebuck Williams, Harry J. Stroud, Phil Bates, David R. Glowacki
Published in: Springer Nature Computer Science, accepted, 2024, ISSN 2661-8907
Publisher: Springer Nature
DOI: 10.48550/arxiv.2409.07189

Martinize2 and Vermouth: Unified Framework for Topology Generation

Author(s): P C Kroon, F Grunewald, J Barnoud, M van Tilburg, P C T Souza, T A Wassenaar, S J Marrink
Published in: Elife, 2023, ISSN 2050-084X
Publisher: eLife Sciences Publications
DOI: 10.48550/arxiv.2212.01191

Virtual reality in drug design: Benefits, applications and industrial perspectives

Author(s): Marc Baaden, David R. Glowacki
Published in: Current Opinion in Structural Biology, Issue 92, 2025, Page(s) 103044, ISSN 0959-440X
Publisher: Elsevier BV
DOI: 10.1016/j.sbi.2025.103044

NanoVer Server: A Python Package for Serving Real-Time Multi-User Interactive Molecular Dynamics in Virtual Reality

Author(s): Harry J. Stroud, Mark D. Wonnacott, Jonathan Barnoud, Rhoslyn Roebuck Williams, Mohamed Dhouioui, Adam McSloy, Ludovica Aisa, Luis E. Toledo, Phil Bates, Adrian J. Mulholland, David R. Glowacki
Published in: Journal of Open Source Software, Issue 10, 2025, Page(s) 8118, ISSN 2475-9066
Publisher: The Journal of Open Source Software
DOI: 10.21105/joss.08118

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

Author(s): Wonmuk Hwang, Steven L. Austin, Arnaud Blondel, Eric D. Boittier, Stefan Boresch, Matthias Buck, Joshua Buckner, Amedeo Caflisch, Hao-Ting Chang, Xi Cheng, Yeol Kyo Choi, Jhih-Wei Chu, Michael F. Crowley, Qiang Cui, Ana Damjanovic, Yuqing Deng, Mike Devereux, Xinqiang Ding, Michael F. Feig, Jiali Gao, David R. Glowacki, James E. Gonzales, Mehdi Bagerhi Hamaneh, Edward D. Harder, Ryan L. Hayes, Jin
Published in: The Journal of Physical Chemistry B, Issue 128, 2024, Page(s) 9976-10042, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcb.4c04100

Book chapters (1)

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

Author(s): Rhoslyn Roebuck Williams, Jonathan Barnoud, Luis Toledo, Till Holzapfel, David R. Glowacki
Published in: Lecture Notes in Computer Science, Extended Reality, 2024, Page(s) 190-198, ISBN 978-3-031-71707-9
Publisher: Springer Nature Switzerland
DOI: 10.1007/978-3-031-71707-9_13