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2024 Journal Article Potassium dependent structural changes in the selectivity filter of HERG potassium channelsLau, Carus H. Y., Flood, Emelie, Hunter, Mark J., Williams-Noonan, Billy J., Corbett, Karen M., Ng, Chai-Ann, Bouwer, James C., Stewart, Alastair G., Perozo, Eduardo, Allen, Toby W. and Vandenberg, Jamie I. (2024). Potassium dependent structural changes in the selectivity filter of HERG potassium channels. Nature Communications, 15 (1) 7470, 1-13. doi: 10.1038/s41467-024-51208-w |
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2024 Journal Article Atomic scale structure of self-assembled lipidated peptide nanomaterialsWilliams-Noonan, Billy J., Kulkarni, Ketav, Todorova, Nevena, Franceschi, Matteo, Wilde, Christopher, Del Borgo, Mark P., Serpell, Louise C., Aguilar, Marie-Isabel and Yarovsky, Irene (2024). Atomic scale structure of self-assembled lipidated peptide nanomaterials. Advanced Materials, 36 (24) 2311103, e2311103. doi: 10.1002/adma.202311103 |
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2024 Journal Article Graphitic nanoflakes modulate the structure and binding of human amylinKamboukos, Alexa, Williams-Noonan, Billy J., Charchar, Patrick, Yarovsky, Irene and Todorova, Nevena (2024). Graphitic nanoflakes modulate the structure and binding of human amylin. Nanoscale, 16 (36), 16870-16886. doi: 10.1039/d4nr01315h |
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2023 Journal Article Self-assembling peptide biomaterials: Insights from spontaneous and enhanced sampling molecular dynamics simulationsWilliams-Noonan, Billy J., Kamboukos, Alexa, Todorova, Nevena and Yarovsky, Irene (2023). Self-assembling peptide biomaterials: Insights from spontaneous and enhanced sampling molecular dynamics simulations. Chemical Physics Reviews, 4 (2) 021304. doi: 10.1063/5.0142302 |
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2022 Journal Article Membrane permeating macrocycles: design guidelines from machine learningWilliams-Noonan, Billy J., Speer, Melissa N., Le, Tu C., Sadek, Maiada M., Thompson, Philip E., Norton, Raymond S., Yuriev, Elizabeth, Barlow, Nicholas, Chalmers, David K. and Yarovsky, Irene (2022). Membrane permeating macrocycles: design guidelines from machine learning. Journal of Chemical Information and Modeling, 62 (19), 4605-4619. doi: 10.1021/acs.jcim.2c00809 |
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2021 Journal Article An active site inhibitor induces conformational penalties for ACE2 recognition by the spike protein of SARS-CoV-2Williams-Noonan, Billy J., Todorova, Nevena, Kulkarni, Ketav, Aguilar, Marie-Isabel and Yarovsky, Irene (2021). An active site inhibitor induces conformational penalties for ACE2 recognition by the spike protein of SARS-CoV-2. Journal of Physical Chemistry B, 125 (10), 2533-2550. doi: 10.1021/acs.jpcb.0c11321 |
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2020 Journal Article Improving membrane permeation in the beyond rule-of-five space by using prodrugs to mask hydrogen bond donorsBarlow, Nicholas, Chalmers, David K., Williams-Noonan, Billy J., Thompson, Philip E., Norton, Raymond S. and Thompson, Philip E. (2020). Improving membrane permeation in the beyond rule-of-five space by using prodrugs to mask hydrogen bond donors. ACS Chemical Biology, 15 (8), 2070-2078. doi: 10.1021/acschembio.0c00218 |
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2020 Journal Article Conformational changes in tyrosine 11 of neurotensin are required to activate the neurotensin receptor 1Bumbak, Fabian, Thomas, Trayder, Noonan-Williams, Billy J., Vaid, Tasneem M., Yan, Fei, Whitehead, Alice R., Bruell, Shoni, Kocan, Martina, Tan, Xuan, Johnson, Margaret A., Bathgate, Ross A. D., Chalmers, David K., Gooley, Paul R. and Scott, Daniel J. (2020). Conformational changes in tyrosine 11 of neurotensin are required to activate the neurotensin receptor 1. ACS Pharmacology and Translational Science, 3 (4), 690-705. doi: 10.1021/acsptsci.0c00026 |
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2019 Journal Article Structural and functional characterisation of a novel peptide from the Australian sea anemone Actinia tenebrosaElnahriry, Khaled A., Wai, Dorothy C.C., Krishnarjuna, Bankala, Badawy, Noha N., Chittoor, Balasubramanyam, MacRaild, Christopher A., Williams-Noonan, Billy J., Surm, Joachim M., Chalmers, David K., Zhang, Alan H., Peigneur, Steve, Mobli, Mehdi, Tytgat, Jan, Prentis, Peter and Norton, Raymond S. (2019). Structural and functional characterisation of a novel peptide from the Australian sea anemone Actinia tenebrosa. Toxicon, 168, 104-112. doi: 10.1016/j.toxicon.2019.07.002 |
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2018 Journal Article A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective AgentSadek, Maiada M., Barlow, Nicholas, Leung, Eleanor W. W., Williams-Noonan, Billy J., Yap, Beow Keat, Shariff, Fairolniza Mohd, Caradoc-Davies, Tom T., Nicholson, Sandra E., Chalmers, David K., Thompson, Philip E., Law, Ruby H. P. and Norton, Raymond S. (2018). A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent. ACS Chemical Biology, 13 (10), 2930-2938. doi: 10.1021/acschembio.8b00561 |
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2018 Journal Article Cyclic hexapeptide mimics of the LEDGF integrase recognition loop in complex with HIV-1 integraseNorthfield, Susan E., Wielens, Jerome, Headey, Stephen J., Williams-Noonan, Billy J., Mulcair, Mark, Scanlon, Martin J., Parker, Michael W., Thompson, Philip E. and Chalmers, David K. (2018). Cyclic hexapeptide mimics of the LEDGF integrase recognition loop in complex with HIV-1 integrase. ChemMedChem, 13 (15), 1555-1565. doi: 10.1002/cmdc.201800129 |
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2018 Journal Article Fragment-based screening of a natural product library against 62 potential malaria drug targets employing native mass spectrometryVu, Hoan, Pedro, Liliana, Mak, Tin, McCormick, Brendan, Rowley, Jessica, Liu, Miaomiao, Di Capua, Angela, Williams-Noonan, Billy, Pham, Ngoc B., Pouwer, Rebecca, Nguyen, Bao, Andrews, Katherine T., Skinner-Adams, Tina, Kim, Jessica, Hol, Wim G. J., Hui, Raymond, Crowther, Gregory J., Van Voorhis, Wesley C. and Quinn, Ronald J. (2018). Fragment-based screening of a natural product library against 62 potential malaria drug targets employing native mass spectrometry. ACS Infectious Diseases, 4 (4), 431-444. doi: 10.1021/acsinfecdis.7b00197 |
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2018 Journal Article Free energy methods in drug design: prospects of "alchemical Perturbation" in medicinal chemistryWilliams-Noonan, Billy J., Yuriev, Elizabeth and Chalmers, David K. (2018). Free energy methods in drug design: prospects of "alchemical Perturbation" in medicinal chemistry. Journal of Medicinal Chemistry, 61 (3), 638-649. doi: 10.1021/acs.jmedchem.7b00681 |
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2017 Journal Article A practical guide to molecular docking and homology modelling for medicinal chemistsLohning, Anna E., Levonis, Stephan M., Williams-Noonan, Billy and Schweiker, Stephanie S. (2017). A practical guide to molecular docking and homology modelling for medicinal chemists. Current Topics in Medicinal Chemistry, 17 (18), 2023-2040. doi: 10.2174/1568026617666170130110827 |
