Raybould, M.I.J., Rees, A.R. & Deane, C.M. (2021) Current strategies for detecting functional convergence across B-cell receptor repertoires MAbs, 13(1):1996732 |
Outeiral, C., Morris, G.M., Shi, J., Strahm, M., Benjamin, S.C. & Deane, C.M. (2021) Investigating the potential for a limited quantum speedup on protein lattice problems New Journal of Physics, 23(10):103030 |
Marks, C., Hummer, A.M., Chin, M. & Deane, C.M. (2021) Humanization of antibodies using a machine learning approach on large-scale repertoire data Bioinformatics, 37(22):4041-4047 |
Robinson, S.A., Raybould, M.I.J., Schneider, C., Wong, W.K., Marks, C. & Deane, C.M. (2021) Epitope profiling using computational structural modelling demonstrated on coronavirus-binding antibodies PLoS Computational Biology, 17(2):e1009675 |
Chan, L., Morris, G.M. & Hutchison, G.R. (2021) Understanding Conformational Entropy in Small Molecules Journal of Chemical Theory and Computation, 17(4):2099-2106 |
Macpherson, A., Laabei, M.L., Ahdash, Z.A., Graewert, M., Birtley, J.R., Schulze, S., Crennell, S., Robinson, S.A., Holmes, B., Oleinikovas, V., Nilsson, P.H., Snowden, J., Ellis, V., Mollnes, T.E., Deane, C.M., Svergun, D., Lawson, A.D.G. & van den Elsen, J. (2021) The allosteric modulation of Complement C5 by knob domain peptides eLife, 10:e63586 |
Imrie, F., Bradley, A.R. & Deane, C. (2021) Generating Property-Matched Decoy Molecules Using Deep Learning Bioinformatics, 37(15):2134-2141 |
Nissley, D.A., Carbery, A., Chonofsky, M. & Deane, C.M. (2021) Ribosome occupancy profiles are conserved between structurally and evolutionarily related yeast domains Bioinformatics, 37(13):1853-1859 |
Chan, L., Hutchison, G. & Morris, G.M. (2021) Understanding Ring Puckering in Small Molecules and Cyclic Peptides Journal of Chemical Information and Modeling, 61(2):743-755 |
Pardo-Diaz, J., Bozhilova, L.V., Mariano, B.D., Poole, P.S., Deane, C.M. & Reinert, G. (2021) Robust gene coexpression networks using signed distance correlation Bioinformatics, 37(14):1982-1989 |
Richardson, E., Galson, J.D., Kellam, P., Kelly, D.F., Smith, S.E., Palser, A., Watson, S. & Deane, C.M. (2021) A computational method for immune repertoire mining that identifies novel binders from different clonotypes, demonstrated by identifying anti-Pertussis toxoid antibodies MAbs, 13(1):1869406 |
Raybould, M.I.J., Kovaltsuk, A., Marks, C. & Deane, C.M. (2021) CoV-AbDab: the Coronavirus Antibody Database Bioinformatics, 37(5):734-735 |
Imrie, F., Hadfield, T.E., Bradley, A.R. & Deane, C.M. (2021) Deep generative design with 3D pharmacophoric constraints Chemical Science, 12:14577-14589 |
Klimm, F., Deane, C.M. & Reinert, G. (2021) Hypergraphs for predicting essential genes using multiprotein complex data Journal of Complex Networks, 9(2):cnaa028 |
Wong, W.K., Robinson, S.A., Bujotzek, A., Georges, G., Lewis, A.P., Shi, J., Snowden, J., Taddese, B. & Deane, C.M. (2021) Ab-Ligity: Identifying sequence-dissimilar antibodies that bind to the same epitope MAbs, 13(1):1873478 |
Raybould, M.I.J., Marks, C., Kovaltsuk, A., Lewis, A.P., Shi, J. & Deane, C.M. (2021) Public Baseline and Shared Response Structures Support the Theory of Antibody Repertoire Functional Commonality PLoS Computational Biology, 17(3):e1008781 |
Olsen, T.H., Boyles, F. & Deane, C.M. (2021) OAS: A diverse database of cleaned, annotated and translated unpaired and paired antibody sequences Protein Science |
Schneider, C., Buchanan, A., Taddese, B. & Deane, C.M. (2021) DLAB—Deep learning methods for structure-based virtual screening of antibodies Bioinformatics, 38(2):377-383 |
Chan, H.T.H., Moesser, M.A., Walters, R.K., Malla, T.R., Twidale, R.M., John, T., Deeks, H.M., Johnston-Wood, T., Mikhailov, V., Sessions, R.B., Dawson, W., Saleh, E., Lukacik, P., Strain-Damerell, C., Owen, C.D., Nakajima, T., Swiderek, K., Lodola, A., Moliner, V., Glowacki, D.R., Spencer, J., Walsh, M.A.A., Schofield, C.J., Genovese, L., Shoemark, D.K., Mulholland, A.J., Duarte, F. & Morris, G.M. (2021) Discovery of SARS-CoV-2 Mpro Peptide Inhibitors from Modelling Substrate and Ligand Binding Chemical Science, 12:13686-13703 |
Boyles, F., Deane, C.M. & Morris, G.M. (2021) Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based Scoring Functions When Trained on Docked Poses Journal of Chemical Information and Modeling |
Schwarz, D., Georges, G., Kelm, S., Shi, J., Vangone, A. & Deane, C.M. (2021) Co-evolutionary distance predictions contain flexibility information Bioinformatics, 38(1):65-72 |
Meli, R., Anighoro, A., Bodkin, M.J., Morris, G.M. & Biggin, P.C. (2021) Learning protein-ligand binding affinity with atomic environment vectors Journal of Cheminformatics, 13:59 |
Ghraichy, M., von Niederhäusern, V., Kovaltsuk, A., Galson, J.D., Deane, C.M. & Trück, J. (2021) Different B cell subpopulations show distinct patterns in their IgH repertoire metrics eLife, 10:e73111 |