| Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography DW Kneller, G Phillips, HM O’Neill, R Jedrzejczak, L Stols, P Langan, ... Nature communications 11 (1), 3202, 2020 | 427 | 2020 |
| Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19 A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ... Journal of chemical information and modeling 60 (12), 5832-5852, 2020 | 178 | 2020 |
| Enzymes for heme biosynthesis are found in both the mitochondrion and plastid of the malaria parasite Plasmodium falciparum S Sato, B Clough, L Coates, RJM Wilson Protist 155 (1), 117-125, 2004 | 157 | 2004 |
| The catalytic mechanism of an aspartic proteinase explored with neutron and X-ray diffraction L Coates, HF Tuan, S Tomanicek, A Kovalevsky, M Mustyakimov, ... Journal of the American Chemical Society 130 (23), 7235-7237, 2008 | 154 | 2008 |
| A neutron Laue diffraction study of endothiapepsin: implications for the aspartic proteinase mechanism L Coates, PT Erskine, SP Wood, DAA Myles, JB Cooper Biochemistry 40 (44), 13149-13157, 2001 | 141 | 2001 |
| Malleability of the SARS-CoV-2 3CL Mpro active-site cavity facilitates binding of clinical antivirals DW Kneller, S Galanie, G Phillips, HM O'Neill, L Coates, A Kovalevsky Structure 28 (12), 1313-1320. e3, 2020 | 136 | 2020 |
| A structural study of CESA1 catalytic domain of Arabidopsis cellulose synthesis complex: evidence for CESA trimers VG Vandavasi, DK Putnam, Q Zhang, L Petridis, WT Heller, BT Nixon, ... Plant physiology 170 (1), 123-135, 2016 | 134 | 2016 |
| Unusual zwitterionic catalytic site of SARS–CoV-2 main protease revealed by neutron crystallography DW Kneller, G Phillips, KL Weiss, S Pant, Q Zhang, HM O'Neill, L Coates, ... Journal of Biological Chemistry 295 (50), 17365-17373, 2020 | 119 | 2020 |
| High-throughput virtual screening and validation of a SARS-CoV-2 main protease noncovalent inhibitor A Clyde, S Galanie, DW Kneller, H Ma, Y Babuji, B Blaiszik, A Brace, ... Journal of chemical information and modeling 62 (1), 116-128, 2021 | 113 | 2021 |
| The atomic resolution structure of methanol dehydrogenase from Methylobacterium extorquens PA Williams, L Coates, F Mohammed, R Gill, PT Erskine, A Coker, ... Acta Crystallographica Section D: Biological Crystallography 61 (1), 75-79, 2005 | 105 | 2005 |
| Covalent narlaprevir-and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease DW Kneller, H Li, G Phillips, KL Weiss, Q Zhang, MA Arnould, CB Jonsson, ... Nature communications 13 (1), 2268, 2022 | 93 | 2022 |
| Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate B Bennett, P Langan, L Coates, M Mustyakimov, B Schoenborn, ... Proceedings of the National Academy of Sciences 103 (49), 18493-18498, 2006 | 84 | 2006 |
| The macromolecular neutron diffractometer (MaNDi) at the Spallation Neutron Source, Oak Ridge: enhanced optics design, high-resolution neutron detectors and simulated diffraction L Coates, AD Stoica, C Hoffmann, J Richards, R Cooper Journal of Applied Crystallography 43 (3), 570-577, 2010 | 83 | 2010 |
| Genetically encoded fragment-based discovery of glycopeptide ligands for carbohydrate-binding proteins S Ng, E Lin, PI Kitov, KF Tjhung, OO Gerlits, L Deng, B Kasper, A Sood, ... Journal of the American Chemical Society 137 (16), 5248-5251, 2015 | 82 | 2015 |
| The macromolecular neutron diffractometer MaNDi at the Spallation Neutron Source L Coates, MJ Cuneo, MJ Frost, J He, KL Weiss, SJ Tomanicek, ... Journal of Applied Crystallography 48 (4), 1302-1306, 2015 | 80 | 2015 |
| Locating active-site hydrogen atoms in D-xylose isomerase: time-of-flight neutron diffraction AK Katz, X Li, HL Carrell, BL Hanson, P Langan, L Coates, ... Proceedings of the National Academy of Sciences 103 (22), 8342-8347, 2006 | 79 | 2006 |
| High-resolution structure of myo-inositol monophosphatase, the putative target of lithium therapy R Gill, F Mohammed, R Badyal, L Coates, P Erskine, D Thompson, ... Acta Crystallographica Section D: Biological Crystallography 61 (5), 545-555, 2005 | 75 | 2005 |
| Neutron and atomic resolution X-ray structures of a lytic polysaccharide monooxygenase reveal copper-mediated dioxygen binding and evidence for N-terminal deprotonation JP Bacik, S Mekasha, Z Forsberg, AY Kovalevsky, G Vaaje-Kolstad, ... Biochemistry 56 (20), 2529-2532, 2017 | 73 | 2017 |
| A structural study of norovirus 3C protease specificity: binding of a designed active site-directed peptide inhibitor RJ Hussey, L Coates, RS Gill, PT Erskine, SF Coker, E Mitchell, ... Biochemistry 50 (2), 240-249, 2011 | 68 | 2011 |
| New sources and instrumentation for neutrons in biology SCM Teixeira, G Zaccai, J Ankner, MC Bellissent-Funel, R Bewley, ... Chemical physics 345 (2-3), 133-151, 2008 | 67 | 2008 |