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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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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Journal Article
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)
Get full text
Journal Article
Discovery of SARS-CoV-2 M 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, widerek, 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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Journal Article
Interactivity: the missing link between virtual reality technology and drug discovery pipelines
Walters, Rebecca K, Gale, Ella M, Barnoud, Jonathan, Glowacki, David R, Mulholland, Adrian J
Published in arXiv.org (08.02.2022)
Published in arXiv.org (08.02.2022)
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Paper
Journal Article
Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking
Deeks, Helen M, Walters, Rebecca K, Hare, Stephanie R, O'Connor, Michael B, Mulholland, Adrian J, Glowacki, David R
Published in arXiv.org (04.02.2020)
Published in arXiv.org (04.02.2020)
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Paper
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, David, Nakajima, Takahito, Swiderek, Katarzyna, Lodola, Alessio, Moliner, Vicent, Glowacki, David R, Walsh, Martin A, Schofield, Christopher J, Genovese, Luigi, Shoemark, Deborah, Mulholland, Adrian J, Duarte, Fernanda, Morris, Garrett M
Published in bioRxiv (19.06.2021)
Published in bioRxiv (19.06.2021)
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