| Development of a Cambridge Structural Database subset: a collection of metal–organic frameworks for past, present, and future PZ Moghadam, A Li, SB Wiggin, A Tao, AGP Maloney, PA Wood, ... Chemistry of Materials 29 (7), 2618-2625, 2017 | 1094 | 2017 |
| P.; Wood, PA; Ward, SC; Fairen-Jimenez, D. Development of a Cambridge Structural Database Subset: A Collection of Metal− Organic Frameworks for Past, Present, and Future PZ Moghadam, A Li, SB Wiggin, A Tao, AG Maloney Chem. Mater 29 (7), 2618-2625, 2017 | 184 | 2017 |
| Whole-genome sequencing coupled to imputation discovers genetic signals for anthropometric traits I Tachmazidou, D Süveges, JL Min, GRS Ritchie, J Steinberg, K Walter, ... The American Journal of Human Genetics 100 (6), 865-884, 2017 | 177 | 2017 |
| Predicting mechanical properties of crystalline materials through topological analysis MJ Bryant, AGP Maloney, RA Sykes CrystEngComm 20 (19), 2698-2704, 2018 | 79 | 2018 |
| The CSD drug subset: the changing chemistry and crystallography of small molecule pharmaceuticals MJ Bryant, SN Black, H Blade, R Docherty, AGP Maloney, SC Taylor Journal of pharmaceutical sciences 108 (5), 1655-1662, 2019 | 75 | 2019 |
| Molecular, solid-state and surface structures of the conformational polymorphic forms of ritonavir in relation to their physicochemical properties C Wang, I Rosbottom, TD Turner, S Laing, AGP Maloney, AY Sheikh, ... Pharmaceutical Research 38 (6), 971-990, 2021 | 44 | 2021 |
| Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines AGP Maloney, PA Wood, S Parsons CrystEngComm 16 (19), 3867-3882, 2014 | 41 | 2014 |
| Evaluation of force-field calculations of lattice energies on a large public dataset, assessment of pharmaceutical relevance, and comparison to density functional theory RL Marchese Robinson, D Geatches, C Morris, R Mackenzie, ... Journal of chemical information and modeling 59 (11), 4778-4792, 2019 | 35 | 2019 |
| Intermolecular interaction energies in transition metal coordination compounds AGP Maloney, PA Wood, S Parsons CrystEngComm 17 (48), 9300-9310, 2015 | 26 | 2015 |
| “Particle informatics”: advancing our understanding of particle properties through digital design MJ Bryant, I Rosbottom, IJ Bruno, R Docherty, CM Edge, RB Hammond, ... Crystal Growth & Design 19 (9), 5258-5266, 2019 | 22 | 2019 |
| Off-the-shelf DFT-DISPersion methods: Are they now “on-trend” for organic molecular crystals? D Geatches, I Rosbottom, RL Marchese Robinson, P Byrne, P Hasnip, ... The Journal of Chemical Physics 151 (4), 2019 | 11 | 2019 |
| Exploring the CSD Drug Subset: An Analysis of Lattice Energies and Constituent Intermolecular Interactions for the Crystal Structures of Pharmaceuticals CY Ma, AA Moldovan, AGP Maloney, KJ Roberts Journal of Pharmaceutical Sciences 112 (2), 435-445, 2023 | 10 | 2023 |
| Surface Analysis─ From Crystal Structures to Particle Properties AA Moldovan, AGP Maloney Crystal Growth & Design 24 (10), 4160-4169, 2024 | 6 | 2024 |
| Use of the PIXEL method to investigate gas adsorption in metal–organic frameworks AGP Maloney, PA Wood, S Parsons CrystEngComm 18 (18), 3273-3281, 2016 | 5 | 2016 |
| Automated In Silico Energy Mapping of Facet-Specific Interparticle Interactions AA Moldovan, RY Penchev, RB Hammond, JP Janowiak, TE Hardcastle, ... Crystal Growth & Design 21 (10), 5780-5791, 2021 | 4 | 2021 |
| Suppression of isotopic polymorphism NP Funnell, DR Allan, AGP Maloney, RI Smith, CJG Wilson, S Parsons CrystEngComm 23 (4), 769-776, 2021 | 4 | 2021 |
| A chiral diamine: Practical implications of a three-stereoisomer cocrystallization BS Dolinar, K Samedov, AGP Maloney, R West, VN Khrustalev, IA Guzei Acta Crystallographica Section C: Structural Chemistry 74 (1), 54-61, 2018 | 2 | 2018 |
| What has scripting ever done for us? The CSD Python application programming interface (API) RA Sykes, NT Johnson, CJ Kingsbury, J Harter, AGP Maloney, IJ Sugden, ... Applied Crystallography 57 (4), 1235-1250, 2024 | 1 | 2024 |
| Predicting particle quality attributes of organic crystalline materials using particle informatics E Prandini, E Calì, AGP Maloney, E Parisi, E Simone Powder Technology, 119927, 2024 | 1 | 2024 |
| Spatial and temporal visualization of polymorphic transformations in pharmaceutical tablets J Gasol‐Cardona, MR Ward, O Gutowski, J Drnec, C Jandl, D Stam, ... Angewandte Chemie 137 (2), e202412976, 2025 | | 2025 |