| Inhibition of the ERCC1–XPF structure-specific endonuclease to overcome cancer chemoresistance EM McNeil, KR Astell, AM Ritchie, S Shave, DR Houston, P Bakrania, ... DNA repair 31, 19-28, 2015 | 77 | 2015 |
| Extensive rewiring of the EGFR network in colorectal cancer cells expressing transforming levels of KRASG13D SA Kennedy, MA Jarboui, S Srihari, C Raso, K Bryan, L Dernayka, ... Nature communications 11 (1), 499, 2020 | 51 | 2020 |
| Ligand discovery and virtual screening using the program LIDAEUS P Taylor, E Blackburn, YG Sheng, S Harding, KY Hsin, D Kan, S Shave, ... British journal of pharmacology 153 (S1), S55-S67, 2008 | 49 | 2008 |
| Discovery of a new class of inhibitors for the protein arginine deiminase type 4 (PAD4) by structure-based virtual screening CY Teo, S Shave, AL Thean Chor, AB Salleh, MBB Abdul Rahman, ... BMC bioinformatics 13, 1-13, 2012 | 40 | 2012 |
| 11β-Hydroxysteroid dehydrogenase type 1 contributes to the balance between 7-keto-and 7-hydroxy-oxysterols in vivo T Mitić, S Shave, N Semjonous, I McNae, DF Cobice, GG Lavery, ... Biochemical Pharmacology 86 (1), 146-153, 2013 | 34 | 2013 |
| EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilities KY Hsin, HP Morgan, SR Shave, AC Hinton, P Taylor, MD Walkinshaw Nucleic acids research 39 (suppl_1), D1042-D1048, 2011 | 31 | 2011 |
| UFSRAT: ultra-fast shape recognition with atom types–the discovery of novel bioactive small molecular scaffolds for FKBP12 and 11βHSD1 S Shave, EA Blackburn, J Adie, DR Houston, M Auer, SP Webster, ... PLoS One 10 (2), e0116570, 2015 | 23 | 2015 |
| Diclofenac identified as a kynurenine 3-monooxygenase binder and inhibitor by molecular similarity techniques S Shave, K McGuire, NT Pham, DJ Mole, SP Webster, M Auer ACS omega 3 (3), 2564-2568, 2018 | 17 | 2018 |
| Identification and X‐ray co‐crystal structure of a small‐molecule activator of LFA‐1‐ICAM‐1 binding M Hintersteiner, J Kallen, M Schmied, C Graf, T Jung, G Mudd, S Shave, ... Angewandte Chemie International Edition 53 (17), 4322-4326, 2014 | 15 | 2014 |
| Chemical interrogation of nuclear size identifies compounds with cancer cell line-specific effects on migration and invasion S Tollis, A Rizzotto, NT Pham, S Koivukoski, A Sivakumar, S Shave, ... ACS chemical biology 17 (3), 680-700, 2022 | 13 | 2022 |
| Real-time tracking of complex ubiquitination cascades using a fluorescent confocal on-bead assay J Koszela, N Pham, D Evans, S Mann, I Perez-Pi, S Shave, D Ceccarelli, ... bioRxiv, 268706, 2018 | 11 | 2018 |
| Development of high performance structure and ligand based virtual screening techniques SR Shave The University of Edinburgh, 2010 | 11 | 2010 |
| Ligand discovery on massively parallel systems SR Shave, P Taylor, M Walkinshaw, L Smith, J Hardy, A Trew IBM Journal of Research and Development 52 (1.2), 57-67, 2008 | 10 | 2008 |
| High-throughput chemical screening for antivirulence developmental phenotypes in Trypanosoma brucei P MacGregor, A Ivens, S Shave, I Collie, D Gray, M Auer, KR Matthews Eukaryotic Cell 13 (3), 412-426, 2014 | 9 | 2014 |
| PyBindingCurve, simulation, and curve fitting to complex binding systems at equilibrium S Shave, YK Chen, NT Pham, M Auer Journal of Chemical Information and Modeling 61 (6), 2911-2915, 2021 | 8 | 2021 |
| PuLSE: Quality control and quantification of peptide sequences explored by phage display libraries S Shave, S Mann, J Koszela, A Kerr, M Auer PLoS One 13 (2), e0193332, 2018 | 8 | 2018 |
| Evolution and impact of high content imaging GP Way, H Sailem, S Shave, R Kasprowicz, NO Carragher Slas Discovery 28 (7), 292-305, 2023 | 4 | 2023 |
| Mrlogp: transfer learning enables accurate logp prediction using small experimental training datasets YK Chen, S Shave, M Auer Processes 9 (11), 2029, 2021 | 4 | 2021 |
| A two-step resin based approach to reveal survivin-selective fluorescent probes AJ Ambrose, NT Pham, J Sivinski, L Guimarães, N Mollasalehi, P Jimenez, ... RSC Chemical Biology 2 (1), 181-186, 2021 | 4 | 2021 |
| Quantitative microdialysis: experimental protocol and software for small molecule protein affinity determination and for exclusion of compounds with poor physicochemical properties S Shave, NT Pham, CB Śmieja, M Auer Methods and Protocols 3 (3), 55, 2020 | 4 | 2020 |
malcolm walkinshawThe University of EdinburghAdresse e-mail validée de ed.ac.uk
