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David R. Glowacki

University of Bristol

119

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2691

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AutoMeKin2021: An open-source program for automated reaction discovery.

2021 arXiv: Chemical Physics
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Visual Continuity of Protein Secondary Structure Rendering: Application to SARS-CoV-2 Mpro in Virtual Reality

2021 Frontiers of Computer Science in China
- Alexander Jamieson-Binnie
- David R. Glowacki
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Discovery of SARS-CoV-2 Mpro Peptide Inhibitors from Modelling Substrate and Ligand Binding

2021 bioRxiv
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Nonadiabatic Kinetics in the Intermediate Coupling Regime: Comparing Molecular Dynamics to an Energy-Grained Master Equation.

2021 Journal of Physical Chemistry A
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ChemDyME: Kinetically Steered, Automated Mechanism Generation Through Combined Molecular Dynamics and Master Equation Calculations

2021 arXiv: Chemical Physics
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OMG-VR: Open-source Mudra Gloves for Manipulating Molecular Simulations in VR.

2020 arXiv: Human-Computer Interaction
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Training atomic neural networks using fragment-based data generated in virtual reality

2020 arXiv: Chemical Physics
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Combining Virtual Reality Visualization with Ensemble Molecular Dynamics to Study Complex Protein Conformational Changes.

2020 Journal of Chemical Information and Modeling
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Isness: Using Multi-Person VR to Design Peak Mystical-Type Experiences Comparable to Psychedelics

2020 arXiv: Human-Computer Interaction
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Training atomic neural networks using fragment-based data generated in virtual reality.

2020 Journal of Chemical Physics
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