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2026 Journal Article Transformers as a substrate for structural biologyMalik, Ashar J., Portelli, Stephanie and Ascher, David B. (2026). Transformers as a substrate for structural biology. Current Opinion in Structural Biology, 97 103218, 1-9. doi: 10.1016/j.sbi.2025.103218 |
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2026 Journal Article A three generation family with VACTERL association is found to have a rare form of diamond-blackfan anaemiaLeshchynska, Iryna, Das, Debjani, O’Reilly, Victoria, Sipka, Alena, Iyer, Kavitha, Alankarage, Dimuthu, Rath, Emma, Kumar, Akshita, Kurt, Beth A., Voydanoff, Maria E., The Congenital Heart Disease Synergy Study group, Winlaw, David, Nassar, Natasha, Kirk, Edwin, Stevenson, Roger E., Winlaw, David S., Ascher, David B., Giannoulatou, Eleni, Mark, Paul R., Dunwoodie, Sally L. and Chapman, Gavin (2026). A three generation family with VACTERL association is found to have a rare form of diamond-blackfan anaemia. European Journal of Human Genetics, 1-11. doi: 10.1038/s41431-026-02076-z |
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2026 Journal Article mCSM-metal: A Deep Learning Resource to Predict Effect of Mutations on Metal Ion BindingKumar, Akshita, Malik, Ashar J. and Ascher, David B. (2026). mCSM-metal: A Deep Learning Resource to Predict Effect of Mutations on Metal Ion Binding. Journal of Molecular Biology 169678, 169678. doi: 10.1016/j.jmb.2026.169678 |
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2026 Journal Article Exploring a genetic basis for the metabolic perturbations in ME/CFS using UK BiobankHuang, Katherine, Muneeb, Muhammad, Thomas, Natalie, Schneider-Futschik, Elena K., Gooley, Paul R., Ascher, David B. and Armstrong, Christopher W. (2026). Exploring a genetic basis for the metabolic perturbations in ME/CFS using UK Biobank. iScience, 29 (1) 114316, 1-13. doi: 10.1016/j.isci.2025.114316 |
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2026 Journal Article Structome-AlignViewer: On Confidence Assessment in Structure-Aware AlignmentsMalik, Ashar J., Mao, Siying, Hugenholtz, Philip and Ascher, David B. (2026). Structome-AlignViewer: On Confidence Assessment in Structure-Aware Alignments. Genome Biology and Evolution, 18 (1) evag004, 1-8. doi: 10.1093/gbe/evag004 |
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2026 Journal Article Systematic evaluation of computational tools to predict the effects of mutations on protein-ligand binding affinity in the absence of experimental structuresPan, Qisheng, Portelli, Stephanie, Nguyen, Thanh Binh and Ascher, David B. (2026). Systematic evaluation of computational tools to predict the effects of mutations on protein-ligand binding affinity in the absence of experimental structures. Briefings in Bioinformatics, 27 (1) bbag035, 1-17. doi: 10.1093/bib/bbag035 |
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2026 Journal Article kinCSM-RTK: machine learning-based screening of receptor tyrosine kinase inhibitors in drug discoverySerghini, Adam, Zhou, Yunzhuo, Myung, Yoochan, de Sá, Alex G. C., Portelli, Stephanie and Ascher, David B. (2026). kinCSM-RTK: machine learning-based screening of receptor tyrosine kinase inhibitors in drug discovery. Journal of Chemical Information and Modeling, 66 (1) acs.jcim.5c01677, 61-73. doi: 10.1021/acs.jcim.5c01677 |
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2025 Journal Article Haploinsufficient variants in SMAD5 are associated with isolated congenital heart diseaseAlankarage, Dimuthu, Leshchynska, Iryna, Portelli, Stephanie, Sipka, Alena, Blue, Gillian M., O'Reilly, Victoria, Das, Debjani, Rath, Emma M., Enriquez, Annabelle, Troup, Michael, Fine, Miriam, Poplawski, Nicola, Verlee, Maxim, Humphreys, David T., Harvey, Richard P., Chapman, Gavin, Kirk, Edwin P., Winlaw, David S., Callewaert, Bert, Chung, Wendy K., Ascher, David, Giannoulatou, Eleni and Dunwoodie, Sally L. (2025). Haploinsufficient variants in SMAD5 are associated with isolated congenital heart disease. Human Genetics and Genomics Advances, 6 (4) 100478, 100478. doi: 10.1016/j.xhgg.2025.100478 |
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2025 Journal Article Combinatorial discovery of RAFT cationic polymers for mRNA delivery: structure–function insights from high-throughput screening and machine learningYang, Wenting, Li, Shangqian, Yu, Siqi, de Sá, Alex G. C., Ita, Tanmayee Sai Sivani, Liang, Tian, Forgham, Helen, Qiao, Ruirui, Li, Jiulong, Stayton, Patrick S., Ascher, David B., Meng, Huan, Whittaker, Andrew K. and Fu, Changkui (2025). Combinatorial discovery of RAFT cationic polymers for mRNA delivery: structure–function insights from high-throughput screening and machine learning. Biomacromolecules, 26 (11), 7724-7738. doi: 10.1021/acs.biomac.5c01236 |
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2025 Journal Article Assessing the predicted impact of single amino acid substitutions in MAPK proteins for CAGI6 challengesTurina, Paola, Petrosino, Maria, Enriquez Sandoval, Carlos A., Novak, Leonore, Pasquo, Alessandra, Alexov, Emil, Alladin, Muttaqi Ahmad, Ascher, David B., Babbi, Giulia, Bakolitsa, Constantina, Casadio, Rita, Cheng, Jianlin, Fariselli, Piero, Folkman, Lukas, Kamandula, Akash, Katsonis, Panagiotis, Li, Minghui, Li, Dong, Lichtarge, Olivier, Mahmud, Sajid, Martelli, Pier Luigi, Pal, Debnath, Panday, Shailesh Kumar, Pires, Douglas E. V., Portelli, Stephanie, Pucci, Fabrizio, Rodrigues, Carlos H. M., Rooman, Marianne, Savojardo, Castrense ... Capriotti, Emidio (2025). Assessing the predicted impact of single amino acid substitutions in MAPK proteins for CAGI6 challenges. Human Genetics, 144 (2-3) 245403, 265-280. doi: 10.1007/s00439-024-02724-8 |
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2025 Journal Article Proximity proteomics reveals a mechanism of fatty acid transfer at lipid droplet-mitochondria- endoplasmic reticulum contact sitesBezawork-Geleta, Ayenachew, Devereux, Camille J., Keenan, Stacey N., Lou, Jieqiong, Cho, Ellie, Nie, Shuai, De Souza, David P., Narayana, Vinod K., Siddall, Nicole A., Rodrigues, Carlos H. M., Portelli, Stephanie, Zheng, Tenghao, Nim, Hieu T., Ramialison, Mirana, Hime, Gary R., Dodd, Garron T., Hinde, Elizabeth, Ascher, David B., Stroud, David A. and Watt, Matthew J. (2025). Proximity proteomics reveals a mechanism of fatty acid transfer at lipid droplet-mitochondria- endoplasmic reticulum contact sites. Nature Communications, 16 (1) 2135, 2135. doi: 10.1038/s41467-025-57405-5 |
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2025 Journal Article Drug resistance-associated mutations in Plasmodium UBP-1 disrupt its essential deubiquitinating activitySmith, Cameron J., Eavis, Heledd, Briggs, Carla, Henrici, Ryan, Karpiyevich, Maryia, Ansbro, Megan R., Hoshizaki, Johanna, van der Heden van Noort, Gerbrand J., Ascher, David B., Sutherland, Colin J., Lee, Marcus C.S. and Artavanis-Tsakonas, Katerina (2025). Drug resistance-associated mutations in Plasmodium UBP-1 disrupt its essential deubiquitinating activity. Journal of Biological Chemistry, 301 (3) 108266, 108266. doi: 10.1016/j.jbc.2025.108266 |
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2025 Journal Article Definition and validation of prognostic phenotypes in moderate aortic stenosisSen, Jonathan, Wahi, Sudhir, Vollbon, William, Prior, Marcus, de Sá, Alex G.C., Ascher, David B., Huynh, Quan and Marwick, Thomas H. (2025). Definition and validation of prognostic phenotypes in moderate aortic stenosis. JACC: Cardiovascular Imaging, 18 (2), 133-149. doi: 10.1016/j.jcmg.2024.06.013 |
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2025 Journal Article Exploring the effects of missense mutations on protein thermodynamics through structure-based approaches: findings from the CAGI6 challengesRodrigues, Carlos H. M., Portelli, Stephanie and Ascher, David B. (2025). Exploring the effects of missense mutations on protein thermodynamics through structure-based approaches: findings from the CAGI6 challenges. Human Genetics, 144 (2-3) e0217169, 327-335. doi: 10.1007/s00439-023-02623-4 |
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2025 Journal Article Assessing the predicted impact of single amino acid substitutions in calmodulin for CAGI6 challengesTurina, Paola, Dal Cortivo, Giuditta, Enriquez Sandoval, Carlos A., Alexov, Emil, Ascher, David B., Babbi, Giulia, Bakolitsa, Constantina, Casadio, Rita, Fariselli, Piero, Folkman, Lukas, Kamandula, Akash, Katsonis, Panagiotis, Li, Dong, Lichtarge, Olivier, Martelli, Pier Luigi, Panday, Shailesh Kumar, Pires, Douglas E. V., Portelli, Stephanie, Pucci, Fabrizio, Rodrigues, Carlos H. M., Rooman, Marianne, Savojardo, Castrense, Schwersensky, Martin, Shen, Yang, Strokach, Alexey V., Sun, Yuanfei, Woo, Junwoo, Radivojac, Predrag, Brenner, Steven E. ... Capriotti, Emidio (2025). Assessing the predicted impact of single amino acid substitutions in calmodulin for CAGI6 challenges. Human Genetics, 144 (2-3) 620793, 113-125. doi: 10.1007/s00439-024-02720-y |
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2024 Journal Article Insights into the structure of NLR family member X1: Paving the way for innovative drug discoveryJewell, Shannon, Nguyen, Thanh Binh, Ascher, David B. and Robertson, Avril A.B. (2024). Insights into the structure of NLR family member X1: Paving the way for innovative drug discovery. Computational and Structural Biotechnology Journal, 23, 3506-3513. doi: 10.1016/j.csbj.2024.09.013 |
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2024 Journal Article Use of the energy waveform electrocardiogram to detect subclinical left ventricular dysfunction in patients with type 2 diabetes mellitusSoh, Cheng Hwee, de Sá, Alex G. C., Potter, Elizabeth, Halabi, Amera, Ascher, David B. and Marwick, Thomas H. (2024). Use of the energy waveform electrocardiogram to detect subclinical left ventricular dysfunction in patients with type 2 diabetes mellitus. Cardiovascular Diabetology, 23 (1) 91, 91. doi: 10.1186/s12933-024-02141-1 |
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2024 Journal Article piscesCSM: prediction of anticancer synergistic drug combinationsAlJarf, Raghad, Rodrigues, Carlos H. M., Myung, Yoochan, Pires, Douglas E. V. and Ascher, David B. (2024). piscesCSM: prediction of anticancer synergistic drug combinations. Journal of Cheminformatics, 16 (1) 81, 81. doi: 10.1186/s13321-024-00859-4 |
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2024 Journal Article Discriminating Myalgic Encephalomyelitis/Chronic Fatigue Syndrome and comorbid conditions using metabolomics in UK biobankHuang, Katherine, de Sá, Alex G. C., Thomas, Natalie, Phair, Robert D., Gooley, Paul R., Ascher, David B. and Armstrong, Christopher W. (2024). Discriminating Myalgic Encephalomyelitis/Chronic Fatigue Syndrome and comorbid conditions using metabolomics in UK biobank. Communications Medicine, 4 (1) 248, 1-14. doi: 10.1038/s43856-024-00669-7 |
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2024 Journal Article Rifaximin prophylaxis causes resistance to the last-resort antibiotic daptomycinTurner, Adrianna M., Li, Lucy, Monk, Ian R., Lee, Jean Y. H., Ingle, Danielle J., Portelli, Stephanie, Sherry, Norelle L., Isles, Nicole, Seemann, Torsten, Sharkey, Liam K., Walsh, Calum J., Reid, Gavin E., Nie, Shuai, Eijkelkamp, Bart A., Holmes, Natasha E., Collis, Brennan, Vogrin, Sara, Hiergeist, Andreas, Weber, Daniela, Gessner, Andre, Holler, Ernst, Ascher, David B., Duchene, Sebastian, Scott, Nichollas E., Stinear, Timothy P., Kwong, Jason C., Gorrie, Claire L., Howden, Benjamin P. and Carter, Glen P. (2024). Rifaximin prophylaxis causes resistance to the last-resort antibiotic daptomycin. Nature, 635 (8040), 969-977. doi: 10.1038/s41586-024-08095-4 |
