Michael B. O’Connor

Sampling molecular conformations and dynamics in a multiuser virtual reality framework

Michael B. O’Connor, Helen M. Deeks, Edward Dawn et al. · Science Advances · 2018 · 155 citations · Full text

Natural Sciences, Chemistry, Physics +17

Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality

Simon J. Bennie, Kara E. Ranaghan, Helen M. Deeks et al. · Journal of Chemical Education · 2019 · 150 citations · Full text

Natural Sciences, Chemistry, Educational Technology +16

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol

Abigail C. Dommer, Lorenzo Casalino, Fiona L. Kearns et al. · The International Journal of High Performance Computing Applications · 2022 · 98 citations · Full text

Life Sciences, Infectious Diseases, Microbiology +16

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

Aaron Sisto, Clem Stross, Marc W. van der Kamp et al. · Physical Chemistry Chemical Physics · 2017 · 85 citations · Full text

Natural Sciences, High-performance Computing, Physics +16

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

Helen M. Deeks, Rebecca K. Walters, Stephanie R. Hare et al. · PLoS ONE · 2020 · 58 citations · Full text

Life Sciences, Biophysics, Drug Design +16