The CCP4 suite: integrative software for macromolecular crystallography J Agirre, M Atanasova, H Bagdonas, CB Ballard, A Baslé, ... Biological Crystallography 79 (6), 449-461, 2023 | 409 | 2023 |
Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge CL Lawson, A Kryshtafovych, PD Adams, PV Afonine, ML Baker, ... Nature methods 18 (2), 156-164, 2021 | 99 | 2021 |
Design and Synthesis of 56 Shape‐Diverse 3D Fragments TD Downes, SP Jones, HF Klein, MC Wheldon, M Atobe, PS Bond, ... Chemistry–A European Journal 26 (41), 8969-8975, 2020 | 50 | 2020 |
Increase of enzyme activity through specific covalent modification with fragments JF Darby, M Atobe, JD Firth, P Bond, GJ Davies, P O'Brien, RE Hubbard Chemical science 8 (11), 7772-7779, 2017 | 46 | 2017 |
Lead-oriented synthesis: Investigation of organolithium-mediated routes to 3-D scaffolds and 3-D shape analysis of a virtual lead-like library M Luethy, MC Wheldon, C Haji-Cheteh, M Atobe, PS Bond, P O’Brien, ... Bioorganic & Medicinal Chemistry 23 (11), 2680-2694, 2015 | 35 | 2015 |
Analysis of HypD disulfide redox chemistry via optimization of Fourier transformed ac voltammetric data H Adamson, M Robinson, PS Bond, B Soboh, K Gillow, AN Simonov, ... Analytical chemistry 89 (3), 1565-1573, 2017 | 34 | 2017 |
Predicting protein model correctness in Coot using machine learning PS Bond, KS Wilson, KD Cowtan Biological Crystallography 76 (8), 713-723, 2020 | 28 | 2020 |
ModelCraft: an advanced automated model-building pipeline using Buccaneer PS Bond, KD Cowtan Biological Crystallography 78 (9), 1090-1098, 2022 | 26 | 2022 |
Comparison of automated crystallographic model-building pipelines E Alharbi, PS Bond, R Calinescu, K Cowtan Biological Crystallography 75 (12), 1119-1128, 2019 | 15 | 2019 |
Shift-field refinement of macromolecular atomic models K Cowtan, S Metcalfe, P Bond Biological Crystallography 76 (12), 1192-1200, 2020 | 9 | 2020 |
Online carbohydrate 3D structure validation with the Privateer web app JS Dialpuri, H Bagdonas, LC Schofield, PT Pham, L Holland, PS Bond, ... Structural Biology and Crystallization Communications 80 (2), 30-35, 2024 | 6 | 2024 |
Outcomes of the EMDataResource cryo-EM Ligand Modeling Challenge CL Lawson, A Kryshtafovych, GD Pintilie, SK Burley, J Černý, VB Chen, ... Nature Methods 21, 1340-1348, 2024 | 4 | 2024 |
Predicting the performance of automated crystallographic model-building pipelines E Alharbi, P Bond, R Calinescu, K Cowtan Biological Crystallography 77 (12), 1591-1601, 2021 | 3 | 2021 |
Next generation software for placing atoms into electron density maps PS Bond University of York, 2021 | 3 | 2021 |
NucleoFind: a deep-learning network for interpreting nucleic acid electron density JS Dialpuri, J Agirre, KD Cowtan, PS Bond Nucleic Acids Research 52 (17), e84-e84, 2024 | | 2024 |