Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Simulations for Protein–Ligand Complexes: Free Energies of Binding of Water Molecules in Influenza Neuraminidase von Woods, Christopher J, Shaw, Katherine E, Mulholland, Adrian J

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Biomolecular simulation and modelling: status, progress and prospects von van der Kamp, Marc W, Shaw, Katherine E, Woods, Christopher J, Mulholland, Adrian J

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Outreach: Impact on Skills and Future Careers of Postgraduate Practitioners Working with the Bristol ChemLabS Centre for Excellence in Teaching and Learning von Harrison, Timothy G., Alexander, Shirin, Barron, Nick, Bonham, Jessica, Correa Ascencio, Marisol, Chapman, Andrew, Cheesman, Ben, England, Matthew, Fletcher, Jane, Flynn, Stephanie, Fiadzomor, Phyllis, Fothergill, James, Greco, Claudio, Griffith, Ash, Hanford, Kate, Kaur, Preeti, Khan, M. Anwar H., Ingle, Rebecca, Inglis, Gordon, Laurain, Adele, Liddle, Emma, Medley, Marcus I., Ndukwe, Ikenna, Rivett, Alison, Sage, Rebecca, Schnepp, Zoe, Sellou, Linda, Shaw, Katherine E., Street, Steve, Tatolo, Godiraone, Wellington, Rachel, Shallcross, Dudley E.

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Compatibility of Quantum Chemical Methods and Empirical (MM) Water Models in Quantum Mechanics/Molecular Mechanics Liquid Water Simulations von Shaw, Katherine E, Woods, Christopher J, Mulholland, Adrian J

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Lennard−Jones Parameters for B3LYP/CHARMM27 QM/MM Modeling of Nucleic Acid Bases von Pentikäinen, Ulla, Shaw, Katherine E, Senthilkumar, Kittusamy, Woods, Christopher J, Mulholland, Adrian J

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Visualizing Gender Diversity in Technology von Shaw, Katherine E

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Carboplatin in BRCA1/2-mutated and triple-negative breast cancer BRCAness subgroups: the TNT Trial von Tutt, Andrew, Tovey, Holly, Cheang, Maggie Chon U., Kernaghan, Sarah, Kilburn, Lucy, Gazinska, Patrycja, Owen, Julie, Abraham, Jacinta, Barrett, Sophie, Barrett-Lee, Peter, Brown, Robert, Chan, Stephen, Dowsett, Mitchell, Flanagan, James M, Fox, Lisa, Grigoriadis, Anita, Gutin, Alexander, Harper-Wynne, Catherine, Hatton, Matthew Q., Hoadley, Katherine A., Parikh, Jyoti, Parker, Peter, Perou, Charles M., Roylance, Rebecca, Shah, Vandna, Shaw, Adam, Smith, Ian E., Timms, Kirsten M., Wardley, Andrew M., Wilson, Gregory, Gillett, Cheryl, Lanchbury, Jerry S., Ashworth, Alan, Rahman, Nazneen, Harries, Mark, Ellis, Paul, Pinder, Sarah E., Bliss, Judith M.

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Development of phenotype algorithms using electronic medical records and incorporating natural language processing von Liao, Katherine P, Cai, Tianxi, Savova, Guergana K, Murphy, Shawn N, Karlson, Elizabeth W, Ananthakrishnan, Ashwin N, Gainer, Vivian S, Shaw, Stanley Y, Xia, Zongqi, Szolovits, Peter, Churchill, Susanne, Kohane, Isaac

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Differential Cytokine Signatures of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) and Influenza Infection Highlight Key Differences in Pathobiology von Karaba, Andrew H, Zhou, Weiqiang, Hsieh, Leon L, Figueroa, Alexis, Massaccesi, Guido, Rothman, Richard E, Fenstermacher, Katherine Z J, Sauer, Lauren, Shaw-Saliba, Kathryn, Blair, Paul W, Robinson, Matthew L, Leung, Sherry, Wesson, Russell, Alachkar, Nada, El-Diwany, Ramy, Ji, Hongkai, Cox, Andrea L

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Integrated stem cell signature and cytomolecular risk determination in pediatric acute myeloid leukemia von Huang, Benjamin J., Smith, Jenny L., Farrar, Jason E., Wang, Yi-Cheng, Umeda, Masayuki, Ries, Rhonda E., Leonti, Amanda R., Crowgey, Erin, Furlan, Scott N., Tarlock, Katherine, Armendariz, Marcos, Liu, Yanling, Shaw, Timothy I., Wei, Lisa, Gerbing, Robert B., Cooper, Todd M., Gamis, Alan S., Aplenc, Richard, Kolb, E. Anders, Rubnitz, Jeffrey, Ma, Jing, Klco, Jeffery M., Ma, Xiaotu, Alonzo, Todd A., Triche, Timothy, Meshinchi, Soheil

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Fpa (YlaN) is an iron(II) binding protein that functions to relieve Fur-mediated repression of gene expression in Staphylococcus aureus von Boyd, Jeffrey M, Ryan Kaler, Kylie, Esquilín-Lebrón, Karla, Pall, Ashley, Campbell, Courtney J, Foley, Mary E, Rios-Delgado, Gustavo, Mustor, Emilee M, Stephens, Timothy G, Bovermann, Hannah, Greco, Todd M, Cristea, Ileana M, Carabetta, Valerie J, Beavers, William N, Bhattacharya, Debashish, Skaar, Eric P, Shaw, Lindsey N, Stemmler, Timothy L

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Global and regional diabetes prevalence estimates for 2019 and projections for 2030 and 2045: Results from the International Diabetes Federation Diabetes Atlas, 9th edition von Saeedi, Pouya, Petersohn, Inga, Salpea, Paraskevi, Malanda, Belma, Karuranga, Suvi, Unwin, Nigel, Colagiuri, Stephen, Guariguata, Leonor, Motala, Ayesha A., Ogurtsova, Katherine, Shaw, Jonathan E., Bright, Dominic, Williams, Rhys

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Precision Oncology Decision Support: Current Approaches and Strategies for the Future von Kurnit, Katherine C, Dumbrava, Ecaterina E Ileana, Litzenburger, Beate, Khotskaya, Yekaterina B, Johnson, Amber M, Yap, Timothy A, Rodon, Jordi, Zeng, Jia, Shufean, Md Abu, Bailey, Ann M, Sánchez, Nora S, Holla, Vijaykumar, Mendelsohn, John, Shaw, Kenna Mills, Bernstam, Elmer V, Mills, Gordon B, Meric-Bernstam, Funda

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The International Diabetes Federation’s guide for diabetes epidemiological studies von Aschner, Pablo, Karuranga, Suvi, James, Steven, Simmons, David, Basit, Abdul, Shaw, Jonathan E., Wild, Sarah H., Ogurtsova, Katherine, Saeedi, Pouya

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Exome sequencing in amyotrophic lateral sclerosis identifies risk genes and pathways von Cirulli, Elizabeth T., Lasseigne, Brittany N., Petrovski, Slavé, Sapp, Peter C., Dion, Patrick A., Leblond, Claire S., Couthouis, Julien, Lu, Yi-Fan, Wang, Quanli, Krueger, Brian J., Ren, Zhong, Keebler, Jonathan, Han, Yujun, Levy, Shawn E., Boone, Braden E., Wimbish, Jack R., Waite, Lindsay L., Jones, Angela L., Carulli, John P., Day-Williams, Aaron G., Staropoli, John F., Xin, Winnie W., Chesi, Alessandra, Raphael, Alya R., McKenna-Yasek, Diane, Cady, Janet, de Jong, J. M. B. Vianney, Kenna, Kevin P., Smith, Bradley N., Topp, Simon, Miller, Jack, Gkazi, Athina, Al-Chalabi, Ammar, van den Berg, Leonard H., Veldink, Jan, Silani, Vincenzo, Ticozzi, Nicola, Shaw, Christopher E., Baloh, Robert H., Appel, Stanley, Simpson, Ericka, Lagier-Tourenne, Clotilde, Pulst, Stefan M., Gibson, Summer, Trojanowski, John Q., Elman, Lauren, McCluskey, Leo, Grossman, Murray, Shneider, Neil A., Chung, Wendy K., Ravits, John M., Glass, Jonathan D., Sims, Katherine B., Van Deerlin, Vivianna M., Maniatis, Tom, Hayes, Sebastian D., Ordureau, Alban, Swarup, Sharan, Landers, John, Baas, Frank, Allen, Andrew S., Bedlack, Richard S., Harper, J. Wade, Gitler, Aaron D., Rouleau, Guy A., Brown, Robert, Harms, Matthew B., Cooper, Gregory M., Harris, Tim, Myers, Richard M., Goldstein, David B.

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GD2-CAR T cell therapy for H3K27M-mutated diffuse midline gliomas von Majzner, Robbie G., Ramakrishna, Sneha, Yeom, Kristen W., Patel, Shabnum, Chinnasamy, Harshini, Schultz, Liora M., Richards, Rebecca M., Jiang, Li, Barsan, Valentin, Mancusi, Rebecca, Geraghty, Anna C., Good, Zinaida, Mochizuki, Aaron Y., Gillespie, Shawn M., Toland, Angus Martin Shaw, Mahdi, Jasia, Reschke, Agnes, Nie, Esther H., Chau, Isabelle J., Rotiroti, Maria Caterina, Mount, Christopher W., Baggott, Christina, Mavroukakis, Sharon, Egeler, Emily, Moon, Jennifer, Erickson, Courtney, Green, Sean, Kunicki, Michael, Fujimoto, Michelle, Ehlinger, Zach, Reynolds, Warren, Kurra, Sreevidya, Warren, Katherine E., Prabhu, Snehit, Vogel, Hannes, Rasmussen, Lindsey, Cornell, Timothy T., Partap, Sonia, Fisher, Paul G., Campen, Cynthia J., Filbin, Mariella G., Grant, Gerald, Sahaf, Bita, Davis, Kara L., Feldman, Steven A., Mackall, Crystal L., Monje, Michelle

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Supporting positive parenting among pregnant people in recovery from opioid use disorder: Introducing family check‐up–prenatal von Guyon‐Harris, Katherine L., Krans, Elizabeth E., Gill, Anne, Karnosh, Caroline, Shaw, Daniel S.

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Clinical and inflammatory characteristics of the European U-BIOPRED adult severe asthma cohort von Shaw, Dominick E, Sousa, Ana R, Fowler, Stephen J, Fleming, Louise J, Roberts, Graham, Corfield, Julie, Pandis, Ioannis, Bansal, Aruna T, Bel, Elisabeth H, Auffray, Charles, Compton, Chris H, Bisgaard, Hans, Bucchioni, Enrica, Caruso, Massimo, Chanez, Pascal, Dahlén, Barbro, Dahlen, Sven-Erik, Dyson, Kerry, Frey, Urs, Geiser, Thomas, Gerhardsson de Verdier, Maria, Gibeon, David, Guo, Yi-Ke, Hashimoto, Simone, Hedlin, Gunilla, Jeyasingham, Elizabeth, Hekking, Pieter-Paul W, Higenbottam, Tim, Horváth, Ildikó, Knox, Alan J, Krug, Norbert, Erpenbeck, Veit J, Larsson, Lars X, Lazarinis, Nikos, Matthews, John G, Middelveld, Roelinde, Montuschi, Paolo, Musial, Jacek, Myles, David, Pahus, Laurie, Sandström, Thomas, Seibold, Wolfgang, Singer, Florian, Strandberg, Karin, Vestbo, Jorgen, Vissing, Nadja, von Garnier, Christophe, Adcock, Ian M, Wagers, Scott, Rowe, Anthony, Howarth, Peter, Wagener, Ariane H, Djukanovic, Ratko, Sterk, Peter J, Chung, Kian Fan

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How IGF-1 activates its receptor von Kavran, Jennifer M, McCabe, Jacqueline M, Byrne, Patrick O, Connacher, Mary Katherine, Wang, Zhihong, Ramek, Alexander, Sarabipour, Sarvenaz, Shan, Yibing, Shaw, David E, Hristova, Kalina, Cole, Philip A, Leahy, Daniel J

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Facility-based surveillance for influenza and respiratory syncytial virus in rural Zambia von Loevinsohn, Gideon, Hamahuwa, Mutinta, Sinywimaanzi, Pamela, Fenstermacher, Katherine Z J, Shaw-Saliba, Kathryn, Pekosz, Andrew, Monze, Mwaka, Rothman, Richard E, Simulundu, Edgar, Thuma, Philip E, Sutcliffe, Catherine G

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