Michael B. O'Connor

发表

Training atomic neural networks using fragment-based data generated in virtual reality.

David R. Glowacki, Silvia Amabilino, Lars A. Bratholm, 2020, The Journal of chemical physics.

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

David R. Glowacki, Simon J. Bennie, Jonathan Barnoud, 2020, SIGGRAPH Immersive Pavilion.

Towards molecular musical instruments: interactive sonifications of 17-alanine, graphene and carbon nanotubes

David R. Glowacki, Alex J. Jones, Michael B. O'Connor, 2020, Audio Mostly Conference.

Adaptively Accelerating Reactive Molecular Dynamics Using Boxed Molecular Dynamics in Energy Space.

Michael B. O'Connor, R. Shannon, Silvia Amabilino, 2018, Journal of chemical theory and computation.

Sampling protein-ligand binding pathways to recover crystallographic binding poses using interactive molecular dynamics in virtual reality

Helen M. Deeks, Michael B. O'Connor, Rebecca K. Walters, 2019, 1908.07395.

A Virtual Reality Environment for Interactive Molecular Dynamics Simulations of Complex Conformational Changes in Proteins

Michael B. O'Connor, J. Michel, J. Juárez-Jiménez, 2020 .

Combining Virtual Reality Visualization with Ensemble Molecular Dynamics to Study Complex Protein Conformational Changes

Michael B. O'Connor, J. Michel, S. Llabrés, 2020, J. Chem. Inf. Model..

A Virtual Reality Ensemble Molecular Dynamics Workflow to Study Complex Conformational Changes in Proteins

Michael B. O'Connor, J. Michel, J. Juárez-Jiménez, 2020 .

An open-source multi-person virtual reality framework for interactive molecular dynamics: from quantum chemistry to drug binding

Adrian J Mulholland, Simon J Bennie, Simon J. Bennie, 2019, The Journal of chemical physics.

An open-source multi-person virtual reality framework for interactive molecular dynamics: from quantum chemistry to drug binding pdf

David R. Glowacki, Adrian J. Mulholland, Michael O'Connor, 2019, ArXiv.

Accelerated sampling methods for high dimensional molecular systems

Michael B. O'Connor, Michael O'Connor, 2019 .

Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model.

Aaron Sisto, Edward G Hohenstein, Simon McIntosh-Smith, 2017, Physical chemistry chemical physics : PCCP.

Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking

David R. Glowacki, Adrian J. Mulholland, Helen M. Deeks, 2019, PloS one.

Sampling protein-ligand binding pathways to recover crystallographic binding poses using interactive molecular dynamics in virtual reality

Helen M. Deeks, Michael B. O'Connor, Rebecca K. Walters, 2019, 1908.07395.

Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality

David R. Glowacki, Adrian J. Mulholland, Michael O'Connor, 2019, Journal of Chemical Education.

Teaching Enzyme Catalysis Using an Open Source Framework for Interactive Molecular Dynamics in Virtual Reality

Simon J. Bennie, Helen M. Deeks, Michael B. O'Connor, 2019 .

Sampling molecular conformations and dynamics in a multiuser virtual reality framework

Oussama Metatla, David R. Glowacki, Adrian J. Mulholland, 2018, Science Advances.

Adaptive free energy sampling in multidimensional collective variable space using boxed molecular dynamics.

Simon McIntosh-Smith, Emanuele Paci, David R Glowacki, 2016, Faraday discussions.

A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors.

Simon McIntosh-Smith, James Price, David R Glowacki, 2014, Faraday discussions.

Empirical Valence Bond Methods for Exploring Reaction Dynamics in the Gas Phase and in Solution

Michael B. O'Connor, J. Harvey, D. Glowacki, 2017 .