Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion

Addicoat, M., Adjiman, C. S., Arhangelskis, M., Beran, G. J. O., Bowskill, D., Brandenburg, J. G., Braun, D. E., Burger, V., Cole, J., Cruz-Cabeza, A. J., Day, G. M., Deringer, V. L., Guo, R., Hare, A., Helfferich, J., Hoja, J., Iuzzolino, L., Jobbins, S., Marom, N., McKay, D. & 21 others, Mitchell, J. B. O., Mohamed, S., Neumann, M., Lill, S. N., Nyman, J., Oganov, A. R., Piaggi, P., Price, S. L., Reutzel-Edens, S., Rietveld, I., Ruggiero, M., Ryder, M. R., Sastre, G., Schön, J. C., Taylor, C., Tkatchenko, A., Tsuzuki, S., van den Ende, J., Woodley, S. M., Woollam, G. & Zhu, Q., 10 Oct 2018, In : Faraday Discussions. 211, p. 325-381

Research output: Contribution to journal › Comment/debate

Applications of crystal structure prediction – inorganic and network structures: general discussion

Burger, V., Claeyssens, F., Davies, D. W., Day, G. M., Dyer, M. S., Hare, A., Li, Y., Mellot-draznieks, C., Mitchell, J. B. O., Mohamed, S., Oganov, A. R., Price, S. L., Ruggiero, M., Ryder, M. R., Sastre, G., Schön, J. C., Spackman, P., Woodley, S. M. & Zhu, Q., 9 Oct 2018, In : Faraday Discussions. 211, p. 613-642

Research output: Contribution to journal › Comment/debate

Applications of crystal structure prediction – organic molecular structures: general discussion

Adjiman, C., Brandenburg, J. G., Braun, D. E., Cole, J., Collins, C., Cooper, A. I., Cruz-Cabeza, A., Day, G., Dudek, M., Hare, A., Iuzzolino, L., McKay, D., Mitchell, J. B. O., Mohamed, S., Neelamraju, S., Neumann, M., Lill, S. N., Nyman, J., Oganov, A. R., Price, S. L. & 9 others, Pulido, A., Reutzel-Edens, S., Rietveld, I., Ruggiero, M. T., Schön, J. C., Tsuzuki, S., van den Ende, J., Woollam, G. & Zhu, Q., 4 Oct 2018, In : Faraday Discussions. 211, p. 493-539

Research output: Contribution to journal › Comment/debate

Can human experts predict solubility better than computers?

Boobier, S., Osbourn, A. & Mitchell, J. B. O., 13 Dec 2017, In : Journal of Cheminformatics. 9, 63

Research output: Contribution to journal › Article

Enzyme function and its evolution

Mitchell, J. B. O., Dec 2017, In : Current Opinion in Structural Biology. 47, p. 151-156

Research output: Contribution to journal › Review article

3-fluoro-GABA enantiomers: exploring the conformation of GABA binding to GABA(A) receptors and GABA aminotransferase

O'Hagan, D., Feb 2011, In : Future Medicinal Chemistry. 3, 2, p. 189-195 7 p.

Research output: Contribution to journal › Review article

Informatics, machine learning and computational medicinal chemistry

Mitchell, J. B., Mar 2011, In : Future Medicinal Chemistry. 3, 4, p. 451-467 17 p.

Research output: Contribution to journal › Review article

Fluorinase: a tool for the synthesis of F-18-labeled sugars and nucleosides for PET

Onega, M., Winkler, M. & O'Hagan, D., Aug 2009, In : Future Medicinal Chemistry. 1, 5, p. 865-873 9 p.

Research output: Contribution to journal › Review article