| A guide to machine learning for biologists JG Greener, SM Kandathil, L Moffat, DT Jones Nature reviews Molecular cell biology 23 (1), 40-55, 2022 | 1431 | 2022 |
| A review of the chemistry and pharmacology of the date fruits (Phoenix dactylifera L.) MS Baliga, BRV Baliga, SM Kandathil, HP Bhat, PK Vayalil Food research international 44 (7), 1812-1822, 2011 | 771 | 2011 |
| High precision in protein contact prediction using fully convolutional neural networks and minimal sequence features DT Jones, SM Kandathil Bioinformatics 34 (19), 3308-3315, 2018 | 212 | 2018 |
| Deep learning extends de novo protein modelling coverage of genomes using iteratively predicted structural constraints JG Greener, SM Kandathil, DT Jones Nature communications 10 (1), 3977, 2019 | 196 | 2019 |
| Prediction of interresidue contacts with DeepMetaPSICOV in CASP13 SM Kandathil, JG Greener, DT Jones Proteins: Structure, Function, and Bioinformatics 87 (12), 1092-1099, 2019 | 117 | 2019 |
| Recent developments in deep learning applied to protein structure prediction SM Kandathil, JG Greener, DT Jones Proteins: Structure, Function, and Bioinformatics 87 (12), 1179-1189, 2019 | 70 | 2019 |
| Accuracy and tractability of a kriging model of intramolecular polarizable multipolar electrostatics and its application to histidine SM Kandathil, TL Fletcher, Y Yuan, J Knowles, PLA Popelier Journal of computational chemistry 34 (21), 1850–1861, 2013 | 62 | 2013 |
| Ultrafast end-to-end protein structure prediction enables high-throughput exploration of uncharacterized proteins SM Kandathil, JG Greener, AM Lau, DT Jones Proceedings of the National Academy of Sciences 119 (4), e2113348119, 2022 | 45 | 2022 |
| Generating, maintaining, and exploiting diversity in a memetic algorithm for protein structure prediction M Garza-Fabre, SM Kandathil, J Handl, J Knowles, SC Lovell Evolutionary computation 24 (4), 577-607, 2016 | 45 | 2016 |
| The prediction of atomic kinetic energies from coordinates of surrounding atoms using kriging machine learning TL Fletcher, SM Kandathil, PLA Popelier Theoretical Chemistry Accounts 133 (7), 1499, 2014 | 31 | 2014 |
| Design in the DARK: learning deep generative models for De Novo protein design L Moffat, SM Kandathil, DT Jones bioRxiv, 2022.01. 27.478087, 2022 | 27 | 2022 |
| Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging TJ Hughes, SM Kandathil, PLA Popelier Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 32-41, 2015 | 22 | 2015 |
| Toward a detailed understanding of search trajectories in fragment assembly approaches to protein structure prediction SM Kandathil, J Handl, SC Lovell Proteins: Structure, Function, and Bioinformatics 84, 411–426, 2016 | 20 | 2016 |
| Improved fragment-based protein structure prediction by redesign of search heuristics SM Kandathil, M Garza-Fabre, J Handl, SC Lovell Scientific Reports 8 (1), 13694, 2018 | 19 | 2018 |
| Machine learning methods for predicting protein structure from single sequences SM Kandathil, AM Lau, DT Jones Current Opinion in Structural Biology 81, 102627, 2023 | 18 | 2023 |
| Exploring structural diversity across the protein universe with the Encyclopedia of Domains AM Lau, N Bordin, SM Kandathil, I Sillitoe, VP Waman, J Wells, ... Science 386 (6721), eadq4946, 2024 | 16 | 2024 |
| Merizo: a rapid and accurate protein domain segmentation method using invariant point attention AM Lau, SM Kandathil, DT Jones Nature Communications 14 (1), 8445, 2023 | 14 | 2023 |
| Deep learning-based prediction of protein structure using learned representations of multiple sequence alignments SM Kandathil, JG Greener, AM Lau, DT Jones Biorxiv, 2020.11. 27.401232, 2020 | 14 | 2020 |
| Proton tunnelling and promoting vibrations during the oxidation of ascorbate by ferricyanide? SM Kandathil, MD Driscoll, RV Dunn, NS Scrutton, S Hay Physical Chemistry Chemical Physics 16 (6), 2256-2259, 2014 | 14 | 2014 |
| Adaptive HIV-1 evolutionary trajectories are constrained by protein stability AS Olabode, SM Kandathil, SC Lovell, DL Robertson Virus Evolution 3 (2), vex019, 2017 | 11 | 2017 |
David JonesProfessor of Bioinformatics, University College LondonVerified email at ucl.ac.uk
