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2022

Journal Article

Identifying the molecular drivers of ALS-implicated missense mutations

Portelli, Stephanie, Albanaz, Amanda, Pires, Douglas Eduardo Valente and Ascher, David Benjamin (2022). Identifying the molecular drivers of ALS-implicated missense mutations. Journal of Medical Genetics, 60 (5) 108798, 1-7. doi: 10.1136/jmg-2022-108798

Identifying the molecular drivers of ALS-implicated missense mutations

2022

Journal Article

VIVID: a web application for variant interpretation and visualisation in multidimensional analyses

Tichkule, Swapnil, Myung, Yoochan, Naung, Myo T., Ansell, Brendan R. E., Guy, Andrew J., Srivastava, Namrata, Mehra, Somya, Cacciò, Simone M, Mueller, Ivo, Barry, Alyssa E, van Oosterhout, Cock, Pope, Bernard, Ascher, David B and Jex, Aaron R (2022). VIVID: a web application for variant interpretation and visualisation in multidimensional analyses. Molecular Biology and Evolution, 39 (9) msac196. doi: 10.1093/molbev/msac196

VIVID: a web application for variant interpretation and visualisation in multidimensional analyses

2022

Journal Article

GASS-Metal: identifying metal-binding sites on protein structures using genetic algorithms

Paiva, Vinícius A., Mendonça, Murillo V., Silveira, Sabrina A., Ascher, David B., Pires, Douglas E. V. and Izidoro, Sandro C. (2022). GASS-Metal: identifying metal-binding sites on protein structures using genetic algorithms. Briefings in Bioinformatics, 23 (5) bbac178, 1-9. doi: 10.1093/bib/bbac178

GASS-Metal: identifying metal-binding sites on protein structures using genetic algorithms

2022

Journal Article

Sequence grammar underlying the unfolding and phase separation of globular proteins

Ruff, Kiersten M., Choi, Yoon Hee, Cox, Dezerae, Ormsby, Angelique R., Myung, Yoochan, Ascher, David B., Radford, Sheena E., Pappu, Rohit V. and Hatters, Danny M. (2022). Sequence grammar underlying the unfolding and phase separation of globular proteins. Molecular Cell, 82 (17), 3193-3208.e8. doi: 10.1016/j.molcel.2022.06.024

Sequence grammar underlying the unfolding and phase separation of globular proteins

2022

Journal Article

toxCSM: comprehensive prediction of small molecule toxicity profiles

de Sá, Alex G.C., Long, Yangyang, Portelli, Stephanie, Pires, Douglas E.V. and Ascher, David B. (2022). toxCSM: comprehensive prediction of small molecule toxicity profiles. Briefings in Bioinformatics, 23 (5) bbac337, 1-11. doi: 10.1093/bib/bbac337

toxCSM: comprehensive prediction of small molecule toxicity profiles

2022

Journal Article

Use of cluster analysis to characterise aortic stenosis phenotypes with treatable and untreatable risk

Sen, J., Pires, D., de Sá, A., Ascher, D., Wahir, S. and Marwick, T. (2022). Use of cluster analysis to characterise aortic stenosis phenotypes with treatable and untreatable risk. Heart, Lung and Circulation, 31, S44-S45. doi: 10.1016/j.hlc.2022.06.016

Use of cluster analysis to characterise aortic stenosis phenotypes with treatable and untreatable risk

2022

Journal Article

HGDiscovery: an online tool providing functional and phenotypic information on novel variants of homogentisate 1,2- dioxigenase

Karmakar, Malancha, Cicaloni, Vittoria, Rodrigues, Carlos H. M., Spiga, Ottavia, Santucci, Annalisa and Ascher, David B. (2022). HGDiscovery: an online tool providing functional and phenotypic information on novel variants of homogentisate 1,2- dioxigenase. Current Research in Structural Biology, 4, 271-277. doi: 10.1016/j.crstbi.2022.08.001

HGDiscovery: an online tool providing functional and phenotypic information on novel variants of homogentisate 1,2- dioxigenase

2022

Journal Article

CSM-Potential: mapping protein interactions and biological ligands in 3D space using geometric deep learning

Rodrigues, Carlos H. M. and Ascher, David B (2022). CSM-Potential: mapping protein interactions and biological ligands in 3D space using geometric deep learning. Nucleic Acids Research, 50 (W1), W204-W209. doi: 10.1093/nar/gkac381

CSM-Potential: mapping protein interactions and biological ligands in 3D space using geometric deep learning

2022

Journal Article

Structural landscapes of PPI interfaces

Rodrigues, Carlos H. M., Pires, Douglas E. V., Blundell, Tom L. and Ascher, David B. (2022). Structural landscapes of PPI interfaces. Briefings in Bioinformatics, 23 (4) bbac165, 1-10. doi: 10.1093/bib/bbac165

Structural landscapes of PPI interfaces

2022

Journal Article

Evaluating hierarchical machine learning approaches to classify biological databases

Rezende, Pâmela M., Xavier, Joicymara S., Ascher, David B., Fernandes, Gabriel R. and Pires, Douglas E. V. (2022). Evaluating hierarchical machine learning approaches to classify biological databases. Briefings in Bioinformatics, 23 (4) bbac216, 1-14. doi: 10.1093/bib/bbac216

Evaluating hierarchical machine learning approaches to classify biological databases

2022

Journal Article

Understanding and predicting the functional consequences of missense mutations in BRCA1 and BRCA2

Aljarf, Raghad, Shen, Mengyuan, Pires, Douglas E V and Ascher, David B (2022). Understanding and predicting the functional consequences of missense mutations in BRCA1 and BRCA2. Scientific reports, 12 (1), 10458-1. doi: 10.1038/s41598-022-13508-3

Understanding and predicting the functional consequences of missense mutations in BRCA1 and BRCA2

2022

Journal Article

Bioinformatics Approaches to Predict Mutation Effects in the Binding Site of the Proangiogenic Molecule CD93

Cicaloni, Vittoria, Karmakar, Malancha, Frusciante, Luisa, Pettini, Francesco, Visibelli, Anna, Orlandini, Maurizio, Galvagni, Federico, Mongiat, Maurizio, Silk, Michael, Nardi, Federica, Ascher, David, Santucci, Annalisa and Spiga, Ottavia (2022). Bioinformatics Approaches to Predict Mutation Effects in the Binding Site of the Proangiogenic Molecule CD93. Frontiers in bioinformatics, 2, 891553-2. doi: 10.3389/fbinf.2022.891553

Bioinformatics Approaches to Predict Mutation Effects in the Binding Site of the Proangiogenic Molecule CD93

2022

Journal Article

Germline variants in tumor suppressor FBXW7 lead to impaired ubiquitination and a neurodevelopmental syndrome

Stephenson, Sarah E M, Costain, Gregory, Blok, Laura E R, Silk, Michael A, Nguyen, Thanh Binh, Dong, Xiaomin, Alhuzaimi, Dana E, Dowling, James J, Walker, Susan, Amburgey, Kimberly, Hayeems, Robin Z, Rodan, Lance H, Schwartz, Marc A, Picker, Jonathan, Lynch, Sally A, Gupta, Aditi, Rasmussen, Kristen J, Schimmenti, Lisa A, Klee, Eric W, Niu, Zhiyv, Agre, Katherine E, Chilton, Ilana, Chung, Wendy K, Revah-Politi, Anya, Au, P Y Billie, Griffith, Christopher, Racobaldo, Melissa, Raas-Rothschild, Annick, Ben Zeev, Bruria ... Tan, Tiong Yang (2022). Germline variants in tumor suppressor FBXW7 lead to impaired ubiquitination and a neurodevelopmental syndrome. American journal of human genetics, 109 (4), 601-617. doi: 10.1016/j.ajhg.2022.03.002

Germline variants in tumor suppressor FBXW7 lead to impaired ubiquitination and a neurodevelopmental syndrome

2022

Journal Article

cropCSM: designing safe and potent herbicides with graph-based signatures

Pires, Douglas E V, Stubbs, Keith A, Mylne, Joshua S and Ascher, David B (2022). cropCSM: designing safe and potent herbicides with graph-based signatures. Briefings in Bioinformatics, 23 (2) bbac042. doi: 10.1093/bib/bbac042

cropCSM: designing safe and potent herbicides with graph-based signatures

2022

Journal Article

Systematic evaluation of computational tools to predict the effects of mutations on protein stability in the absence of experimental structures

Pan, Qisheng, Nguyen, Thanh Binh, Ascher, David B and Pires, Douglas E V (2022). Systematic evaluation of computational tools to predict the effects of mutations on protein stability in the absence of experimental structures. Briefings in Bioinformatics, 23 (2) bbac025. doi: 10.1093/bib/bbac025

Systematic evaluation of computational tools to predict the effects of mutations on protein stability in the absence of experimental structures

2022

Journal Article

Known allosteric proteins have central roles in genetic disease

Abrusán, György, Ascher, David B. and Inouye, Michael (2022). Known allosteric proteins have central roles in genetic disease. PLoS Computational Biology, 18 (2) e1009806, 1-28. doi: 10.1371/journal.pcbi.1009806

Known allosteric proteins have central roles in genetic disease

2022

Journal Article

epitope3D: a machine learning method for conformational B-cell epitope prediction

da Silva, Bruna Moreira, Myung, YooChan, Ascher, David B. and Pires, Douglas E. V. (2022). epitope3D: a machine learning method for conformational B-cell epitope prediction. Briefings in Bioinformatics, 23 (1) bbab423, 1-8. doi: 10.1093/bib/bbab423

epitope3D: a machine learning method for conformational B-cell epitope prediction

2022

Journal Article

Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria

Sharma, Mahima, Lingford, James P., Petricevic, Marija, Snow, Alexander J. D., Zhang, Yunyang, Järvå, Michael A., Mui, Janice W.-Y., Scott, Nichollas E., Saunders, Eleanor C., Mao, Runyu, Epa, Ruwan, da Silva, Bruna M., Pires, Douglas E. V., Ascher, David B., McConville, Malcolm J., Davies, Gideon J., Williams, Spencer J. and Goddard-Borger, Ethan D. (2022). Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria. Proceedings of the National Academy of Sciences, 119 (4) e2116022119, e2116022119. doi: 10.1073/pnas.2116022119

Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria

2022

Journal Article

Estimating tuberculosis drug resistance amplification rates in high-burden settings

Karmakar, Malancha, Ragonnet, Romain, Ascher, David B, Trauer, James M and Denholm, Justin T (2022). Estimating tuberculosis drug resistance amplification rates in high-burden settings. BMC infectious diseases, 22 (1), 82-1. doi: 10.1186/s12879-022-07067-1

Estimating tuberculosis drug resistance amplification rates in high-burden settings

2022

Journal Article

CSM-carbohydrate: protein-carbohydrate binding affinity prediction and docking scoring function

Nguyen, Thanh Binh, Pires, Douglas E. V. and Ascher, David B. (2022). CSM-carbohydrate: protein-carbohydrate binding affinity prediction and docking scoring function. Briefings in Bioinformatics, 23 (1) bbab512, 1-8. doi: 10.1093/bib/bbab512

CSM-carbohydrate: protein-carbohydrate binding affinity prediction and docking scoring function