Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV‑2 Main Protease
Deeks, Helen M, Walters, Rebecca K, Barnoud, Jonathan, Glowacki, David R, Mulholland, Adrian J
Published in Journal of chemical information and modeling (28.12.2020)
Published in Journal of chemical information and modeling (28.12.2020)
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Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework
O’Connor, Michael B., Bennie, Simon J., Deeks, Helen M., Jamieson-Binnie, Alexander, Jones, Alex J., Shannon, Robin J., Walters, Rebecca, Mitchell, Thomas J., Mulholland, Adrian J., Glowacki, David R.
Published in The Journal of chemical physics (14.06.2019)
Published in The Journal of chemical physics (14.06.2019)
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Journal Article
Discovery of SARS-CoV-2 M pro peptide inhibitors from modelling substrate and ligand binding
Chan, H T Henry, Moesser, Marc A, Walters, Rebecca K, Malla, Tika R, Twidale, Rebecca M, John, Tobias, Deeks, Helen M, Johnston-Wood, Tristan, Mikhailov, Victor, Sessions, Richard B, Dawson, William, Salah, Eidarus, Lukacik, Petra, Strain-Damerell, Claire, Owen, C David, Nakajima, Takahito, Świderek, Katarzyna, Lodola, Alessio, Moliner, Vicent, Glowacki, David R, Spencer, James, Walsh, Martin A, Schofield, Christopher J, Genovese, Luigi, Shoemark, Deborah K, Mulholland, Adrian J, Duarte, Fernanda, Morris, Garrett M
Published in Chemical science (Cambridge) (27.10.2021)
Published in Chemical science (Cambridge) (27.10.2021)
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The emerging potential of interactive virtual reality in drug discovery
Walters, Rebecca K., Gale, Ella M., Barnoud, Jonathan, Glowacki, David R., Mulholland, Adrian J.
Published in Expert opinion on drug discovery (03.07.2022)
Published in Expert opinion on drug discovery (03.07.2022)
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Journal Article
Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding
Chan, H T Henry, Moesser, Marc A, Walters, Rebecca K, Malla, Tika R, Twidale, Rebecca M, Tobias, John, Deeks, Helen M, Johnston-Wood, Tristan, Mikhailov, Victor, Sessions, Richard B, Dawson, William, Eidarus Salah, Lukacik, Petra, Strain-Damerell, Claire, Owen, C David, Nakajima, Takahito, Świderek, Katarzyna, Lodola, Alessio, Moliner, Vicent, Glowacki, David R, Spencer, James, Walsh, Martin A, Schofield, Christopher J, Genovese, Luigi, Shoemark, Deborah K, Mulholland, Adrian J, Duarte, Fernanda, Morris, Garrett M
Published in Chemical science (Cambridge) (27.10.2021)
Published in Chemical science (Cambridge) (27.10.2021)
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Does intradiscal electrothermal therapy denervate and repair experimentally induced posterolateral annular tears in an animal model?
Freeman, Brian J C, Walters, Rebecca M, Moore, Robert J, Fraser, Robert D
Published in Spine (Philadelphia, Pa. 1976) (01.12.2003)
Published in Spine (Philadelphia, Pa. 1976) (01.12.2003)
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Penetration of cephazolin in human lumbar intervertebral disc
Walters, Rebecca, Moore, Robert, Fraser, Robert
Published in Spine (Philadelphia, Pa. 1976) (01.03.2006)
Published in Spine (Philadelphia, Pa. 1976) (01.03.2006)
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Prophylactic cephazolin to prevent discitis in an ovine model
Walters, Rebecca, Rahmat, Razmi, Shimamura, Yoshio, Fraser, Robert, Moore, Robert
Published in Spine (Philadelphia, Pa. 1976) (15.02.2006)
Published in Spine (Philadelphia, Pa. 1976) (15.02.2006)
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The biologic response to particles from a lumbar disc prosthesis
Moore, Robert J, Fraser, Robert D, Vernon-Roberts, Barrie, Finnie, John W, Blumbergs, Peter C, Haynes, David R, Hutchens, Martin J, Walters, Rebecca M, Kamat, Anant S, Koszyca, Barbara
Published in Spine (Philadelphia, Pa. 1976) (01.10.2002)
Published in Spine (Philadelphia, Pa. 1976) (01.10.2002)
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Utilising Staphylococcus aureus immune evasion protein Sbi as a novel vaccine conjugate
Back, Catherine R., Yang, Yi, Wahid, Ayla A., Walters, Rebecca, Paulin, Joshua, Graewert, Melissa A., Svergun, Dmitri I., Marchbank, Kevin J., van den Elsen, Jean M.H.
Published in Molecular immunology (01.09.2017)
Published in Molecular immunology (01.09.2017)
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