Charge migration in polycyclic norbornadiene cations: Winning the race against decoherence von Jenkins, Andrew J., Vacher, Morgane, Twidale, Rebecca M., Bearpark, Michael J., Robb, Michael A.

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Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-β-Lactamase in the Imine Form von Twidale, Rebecca M, Hinchliffe, Philip, Spencer, James, Mulholland, Adrian J

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Mechanism of covalent binding of ibrutinib to Bruton's tyrosine kinase revealed by QM/MM calculations von Voice, Angus T, Tresadern, Gary, Twidale, Rebecca M, van Vlijmen, Herman, Mulholland, Adrian J

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Discovery of SARS-CoV-2 M pro peptide inhibitors from modelling substrate and ligand binding von 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

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Current-Generating Double-Layer Shoe with a Porous Sole: Ion Transport Matters von Kornyshev, Alexei A, Twidale, Rebecca M, Kolomeisky, Anatoly B

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Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins von Yang, Zongfan, Twidale, Rebecca M, Gervasoni, Silvia, Suardíaz, Reynier, Colenso, Charlotte K, Lang, Eric J. M, Spencer, James, Mulholland, Adrian J

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Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding von 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

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Discovery of SARS-CoV-2 M peptide inhibitors from modelling substrate and ligand binding von 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

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