The CCP4 suite: integrative software for macromolecular crystallography J Agirre, M Atanasova, H Bagdonas, CB Ballard, A Baslé, ... Acta Crystallographica Section D: Structural Biology 79 (6), 449-461, 2023 | 314 | 2023 |
A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density NM Pearce, T Krojer, AR Bradley, P Collins, RP Nowak, R Talon, ... Nature communications 8 (1), 15123, 2017 | 268 | 2017 |
An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering DA Keedy, ZB Hill, JT Biel, E Kang, TJ Rettenmaier, J Brandao-Neto, ... Elife 7, e36307, 2018 | 161 | 2018 |
Gentle, fast and effective crystal soaking by acoustic dispensing PM Collins, JT Ng, R Talon, K Nekrosiute, T Krojer, A Douangamath, ... Acta Crystallographica Section D: Structural Biology 73 (3), 246-255, 2017 | 110 | 2017 |
The XChemExplorer graphical workflow tool for routine or large-scale protein–ligand structure determination T Krojer, R Talon, N Pearce, P Collins, A Douangamath, J Brandao-Neto, ... Acta Crystallographica Section D: Structural Biology 73 (3), 267-278, 2017 | 109 | 2017 |
Proper modelling of ligand binding requires an ensemble of bound and unbound states NM Pearce, T Krojer, F Von Delft Acta Crystallographica Section D: Structural Biology 73 (3), 256-266, 2017 | 72 | 2017 |
Bicyclic Β‐sheet mimetics that target the transcriptional coactivator Β‐catenin and inhibit Wnt signaling M Wendt, R Bellavita, A Gerber, NL Efrém, T van Ramshorst, NM Pearce, ... Angewandte Chemie International Edition 60 (25), 13937-13944, 2021 | 48 | 2021 |
Insights into enhanced complement activation by structures of properdin and its complex with the C-terminal domain of C3b RM Van den Bos, NM Pearce, J Granneman, THC Brondijk, P Gros Frontiers in immunology 10, 2097, 2019 | 46 | 2019 |
Achieving efficient fragment screening at XChem facility at diamond light source A Douangamath, A Powell, D Fearon, PM Collins, R Talon, T Krojer, ... JoVE (Journal of Visualized Experiments), e62414, 2021 | 41 | 2021 |
Partial-occupancy binders identified by the Pan-Dataset Density Analysis method offer new chemical opportunities and reveal cryptic binding sites NM Pearce, AR Bradley, T Krojer, BD Marsden, CM Deane, F Von Delft Structural Dynamics 4 (3), 2017 | 34 | 2017 |
A method for intuitively extracting macromolecular dynamics from structural disorder NM Pearce, P Gros Nature communications 12 (1), 5493, 2021 | 27 | 2021 |
Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F W Oosterheert, KT Xenaki, V Neviani, W Pos, S Doulkeridou, ... Life Science Alliance 3 (11), 2020 | 27 | 2020 |
Improving sampling of crystallographic disorder in ensemble refinement N Ploscariu, T Burnley, P Gros, NM Pearce Acta Crystallographica Section D: Structural Biology 77 (11), 1357-1364, 2021 | 25 | 2021 |
Mechanistic insights into the C 55-P targeting lipopeptide antibiotics revealed by structure–activity studies and high-resolution crystal structures TM Wood, MR Zeronian, N Buijs, K Bertheussen, HK Abedian, ... Chemical Science 13 (10), 2985-2991, 2022 | 12 | 2022 |
Ten simple rules for surviving an interdisciplinary PhD S Demharter, N Pearce, K Beattie, I Frost, J Leem, A Martin, ... PLoS Computational Biology 13 (5), e1005512, 2017 | 11 | 2017 |
Of problems and opportunities—How to treat and how to not treat crystallographic fragment screening data MS Weiss, J Wollenhaupt, GJ Correy, JS Fraser, A Heine, G Klebe, ... Protein Science 31 (9), e4391, 2022 | 10 | 2022 |
Crystallography Made Crystal Clear: A Guide for Users of Macromolecular Models AR Pearson, N Pearce, J Wierman Academic Press, 2022 | 8 | 2022 |
Covalent bicyclization of protein complexes yields durable quaternary structures GH Hutchins, S Kiehstaller, P Poc, AH Lewis, J Oh, R Sadighi, NM Pearce, ... Chem 10 (2), 615-627, 2024 | 4 | 2024 |
Experiences from developing software for large X-ray crystallography-driven protein-ligand studies NM Pearce, R Skyner, T Krojer Frontiers in Molecular Biosciences 9, 861491, 2022 | 3 | 2022 |
Crystallographic approach to fragment-based hit discovery against Schistosoma mansoni purine nucleoside phosphorylase M Faheem, N Fonseca Valadares, J Brandăo-Neto, D Bellini, P Collins, ... Biochemical Journal 478 (19), 3655-3670, 2021 | 1 | 2021 |