abstract

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

Authors:

Alexander D Jamieson-Binnie,

David R. GlowackiAuthors Info & Claims

SIGGRAPH '20: ACM SIGGRAPH 2020 Immersive Pavilion

Article No.: 13, Pages 1 - 2

https://doi.org/10.1145/3388536.3407891

Published: 17 August 2020 Publication History

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Abstract

Here we present Narupa iMD, an open-source software package which enables multiple users to cohabit the same virtual reality space and interact with real-time molecular simulations. The framework utilizes a client-server architecture which links a flexible Python server to a VR client which handles the rendering and user interface. This design helps ensure utility for research communities, by enabling easy access to a wide range of molecular simulation engines for visualization and manipulation of simulated nanoscale dynamics at interactive speeds.

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[1]

Simon J. Bennie, Kara E. Ranaghan, Helen Deeks, Heather E. Goldsmith, Michael B. O’Connor, Adrian J. Mulholland, and David R. Glowacki. 2019. Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality. Journal of Chemical Education 96, 11 (11 2019), 2488–2496. https://doi.org/10.1021/acs.jchemed.9b00181

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[2]

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Joseph Laureanti, Juan Brandi, Elvis Offor, David Engel, Robert Rallo, Bojana Ginovska, Xavier Martinez, Marc Baaden, and Nathan A. Baker. 2020. Visualizing biomolecular electrostatics in virtual reality with UnityMol‐APBS. Protein Science 29, 1 (1 2020), 237–246. https://doi.org/10.1002/pro.3773

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Michael B. O’Connor, Simon J. Bennie, Helen M. Deeks, Alexander Jamieson-Binnie, Alex J. Jones, Robin J. Shannon, Rebecca Walters, Thomas J. Mitchell, Adrian J. Mulholland, and David R. Glowacki. 2019. Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework. Journal of Chemical Physics 150, 22 (6 2019), 220901. https://doi.org/10.1063/1.5092590

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[5]

Michael O’Connor, Helen M. Deeks, Edward Dawn, Oussama Metatla, Anne Roudaut, Matthew Sutton, Lisa May Thomas, Becca Rose Glowacki, Rebecca Sage, Philip Tew, Mark Wonnacott, Phil Bates, Adrian J. Mulholland, and David R. Glowacki. 2018. Sampling molecular conformations and dynamics in a multiuser virtual reality framework. Science Advances 4, 6 (6 2018), eaat2731. https://doi.org/10.1126/sciadv.aat2731

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Hulsen T(2024)Aplicaciones del metaverso en medicina y atención sanitariaAdvances in Laboratory Medicine / Avances en Medicina de Laboratorio10.1515/almed-2024-00045:2(166-172)Online publication date: 19-Feb-2024
https://doi.org/10.1515/almed-2024-0004
Darbar RSantuz HTaly ABaaden M(2024)GazeMolVR: Sharing Eye-Gaze Cues in a Collaborative VR Environment for Molecular VisualizationProceedings of the International Conference on Mobile and Ubiquitous Multimedia10.1145/3701571.3701599(7-23)Online publication date: 1-Dec-2024
https://dl.acm.org/doi/10.1145/3701571.3701599
Mishra SCorro-Flores MKrum DForouzesh N(2024)Molecular Docking Improved with Human Spatial Perception Using Virtual RealityIEEE Transactions on Visualization and Computer Graphics10.1109/TVCG.2024.337212830:5(2269-2275)Online publication date: 7-Mar-2024
https://dl.acm.org/doi/10.1109/TVCG.2024.3372128
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Published In

SIGGRAPH '20: ACM SIGGRAPH 2020 Immersive Pavilion

August 2020

36 pages

ISBN:9781450379687

DOI:10.1145/3388536

Permission to make digital or hard copies of part or all of this work for personal or classroom use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. Copyrights for third-party components of this work must be honored. For all other uses, contact the Owner/Author.

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Association for Computing Machinery

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Published: 17 August 2020

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SIGGRAPH '20: Special Interest Group on Computer Graphics and Interactive Techniques Conference

August 17, 2020

Virtual Event, USA

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Overall Acceptance Rate 1,822 of 8,601 submissions, 21%

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Hulsen T(2024)Aplicaciones del metaverso en medicina y atención sanitariaAdvances in Laboratory Medicine / Avances en Medicina de Laboratorio10.1515/almed-2024-00045:2(166-172)Online publication date: 19-Feb-2024
https://doi.org/10.1515/almed-2024-0004
Darbar RSantuz HTaly ABaaden M(2024)GazeMolVR: Sharing Eye-Gaze Cues in a Collaborative VR Environment for Molecular VisualizationProceedings of the International Conference on Mobile and Ubiquitous Multimedia10.1145/3701571.3701599(7-23)Online publication date: 1-Dec-2024
https://dl.acm.org/doi/10.1145/3701571.3701599
Mishra SCorro-Flores MKrum DForouzesh N(2024)Molecular Docking Improved with Human Spatial Perception Using Virtual RealityIEEE Transactions on Visualization and Computer Graphics10.1109/TVCG.2024.337212830:5(2269-2275)Online publication date: 7-Mar-2024
https://dl.acm.org/doi/10.1109/TVCG.2024.3372128
Cortés Rodríguez FFrattini GPhloi-Montri SPinto Meireles FTerrien DCruz-León SPeraro MSchier ELindorff-Larsen KLimpanuparb TMoreno DAbriata L(2024)MolecularWebXR: Multiuser discussions in chemistry and biology through immersive and inclusive augmented and virtual realityJournal of Molecular Graphics and Modelling10.1016/j.jmgm.2024.108932(108932)Online publication date: Dec-2024
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Mittal VUpadhyay PSharma A(2024)Applications of the Metaverse in Medicine and HealthcareMetaverse Driven Intelligent Information Systems10.1007/978-3-031-72418-3_7(103-126)Online publication date: 29-Nov-2024
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Roebuck Williams RBarnoud JToledo LHolzapfel TGlowacki D(2024)Measuring the Limit of Perception of Bond Stiffness of Interactive Molecules in VR via a Gamified Psychophysics ExperimentExtended Reality10.1007/978-3-031-71707-9_13(190-198)Online publication date: 4-Sep-2024
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Kuťák DVázquez PIsenberg TKrone MBaaden MByška JKozlíková BMiao H(2023)State of the Art of Molecular Visualization in Immersive Virtual EnvironmentsComputer Graphics Forum10.1111/cgf.1473842:6Online publication date: 24-Feb-2023
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A VR framework for interacting with molecular simulations

Virtual screening, molecular simulations and bioassays: Discovering novel microsomal prostaglandin E Synthase-1 (mPGES-1) inhibitors

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