| Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016 | 641 | 2016 |
| Static and lattice vibrational energy differences between polymorphs J Nyman, GM Day CrystEngComm 17 (28), 5154-5165, 2015 | 430 | 2015 |
| A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs SMRE Rajni M. Bhardwaj, Jennifer A. McMahon, Jonas Nyman, Louise S. Price ... Journal of the American Chemical Society, 2019 | 144 | 2019 |
| Accurate force fields and methods for modelling organic molecular crystals at finite temperatures J Nyman, OS Pundyke, GM Day Physical Chemistry Chemical Physics 18 (23), 15828-15837, 2016 | 114 | 2016 |
| Modelling temperature-dependent properties of polymorphic organic molecular crystals J Nyman, GM Day Physical Chemistry Chemical Physics 18 (45), 31132-31143, 2016 | 106 | 2016 |
| Accuracy and reproducibility in crystal structure prediction: the curious case of ROY SMRE Jonas Nyman, Lian Yu CrystEngComm, 2018 | 82* | 2018 |
| Crystal structure prediction is changing from basic science to applied technology J Nyman, SM Reutzel-Edens Faraday Discussions 211, 459-476, 2018 | 79 | 2018 |
| The twelfth solved structure of ROY: single crystals of Y04 grown from melt microdroplets X Li, X Ou, H Rong, S Huang, J Nyman, L Yu, M Lu Crystal Growth & Design 20 (11), 7093-7097, 2020 | 58 | 2020 |
| The PO13 crystal structure of ROY KS Gushurst, J Nyman, SXM Boerrigter CrystEngComm 21 (9), 1363-1368, 2019 | 54 | 2019 |
| Pellet formation of zygomycetes and immobilization of yeast J Nyman, MG Lacintra, JO Westman, M Berglin, M Lundin, ... New Biotechnology 30 (5), 516-522, 2013 | 44 | 2013 |
| Inconvenient truths about solid form landscapes revealed in the polymorphs and hydrates of gandotinib DE Braun, JA McMahon, RM Bhardwaj, J Nyman, MA Neumann, ... Crystal Growth & Design 19 (5), 2947-2962, 2019 | 43 | 2019 |
| Systematic finite-temperature reduction of crystal energy landscapes NF Francia, LS Price, J Nyman, SL Price, M Salvalaglio Crystal Growth & Design 20 (10), 6847-6862, 2020 | 41 | 2020 |
| Clathrate Structure Determination by Combining Crystal Structure Prediction with Computational and Experimental 129Xe NMR Spectroscopy M Selent, J Nyman, J Roukala, M Ilczyszyn, R Oilunkaniemi, PJ Bygrave, ... Chemistry–A European Journal 23 (22), 5258-5269, 2017 | 27 | 2017 |
| The seventh blind test of crystal structure prediction: structure generation methods LM Hunnisett, J Nyman, N Francia, NS Abraham, CS Adjiman, ... Structural Science 80 (6), 2024 | 11 | 2024 |
| Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion Faraday Discussions 211, 325-381, 2018 | 11 | 2018 |
| Applications of crystal structure prediction – organic molecular structures: general discussion Faraday Discussions 211, 493-539, 2018 | 10 | 2018 |
| The seventh blind test of crystal structure prediction: structure ranking methods LM Hunnisett, N Francia, J Nyman, NS Abraham, S Aitipamula, T Alkhidir, ... Structural Science 80 (6), 2024 | 8 | 2024 |
| A novel chimaeric flocculation protein enhances flocculation in Saccharomyces cerevisiae JO Westman, J Nyman, RMA Manara, V Mapelli, CJ Franzén Metabolic Engineering Communications 6, 49-55, 2018 | 5 | 2018 |
| Structure searching methods: general discussion M Addicoat, CS Adjiman, M Arhangelskis, GJO Beran, JG Brandenburg, ... Faraday discussions 211, 133-180, 2018 | 5 | 2018 |
| Computational predictions of structures, inclusion behaviour and properties of organic molecular crystals J Nyman University of Southampton, 2017 | 1 | 2017 |
Graeme M. DayProfessor of Chemical Modelling, University of SouthamptonVerified email at soton.ac.uk
