Mitchell Group

Chapters

In silico methods to predict solubility
McDonagh, J., Mitchell, J. B. O., Palmer, D. & Skyner, R. E., 20 Jan 2020, Solubility in Pharmaceutical Chemistry. Saal, C. & Nair, A. (eds.). de Gruyter, p. 71-112 42 p.
Research output: Chapter in Book/Report/Conference proceeding › Chapter

Classifying the world anti-doping agency's 2005 prohibited list using the Chemistry Development Kit fingerprint
Cannon, E. O. & Mitchell, J. B. O., 2006, Computational Life Sciences II: Second International Symposium, CompLife 2006, Cambridge, UK, September 27-29, 2006, Proceedings. Berthold, M. R., Glen, R. & Fischer, I. (eds.). Springer, p. 173-182 10 p. (Lecture Notes in Computer Science; vol. 4216).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Modelling the interactions of protein side-chains
Mitchell, J. B. O., THORNTON, J. M. & PRICE, S. L., 1995, Modelling of biomolecular structures and mechanisms: proceedings of the Twenty-seventh Jerusalem symposium on quantum chemistry and biochemistry held in Jerusalem, Israel, May 23-26, 1994. Pullman, A., Jortner, J. & Pullman, B. (eds.). Kluwer Academic Publishers, p. 119-135 17 p. (Jerusalem symposia on quantum chemistry and biochemistry ; vol. 27).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Articles

Allosteric activation unveils protein-mass modulation of ATP phosphoribosyltransferase product release
Read, B., Mitchell, J. B. O. & da Silva, R. G., 6 Apr 2024, In: Communications Chemistry. 7, 13 p., 77.
Research output: Contribution to journal › Article › peer-review

Crystal structure, steady-state and pre-steady-state kinetics of Acinetobacter baumannii ATP phosphoribosyltransferase
Read, B., Cadzow, A., Alphey, M. S., Mitchell, J. B. O. & da Silva, R. G., 16 Jan 2024, In: Biochemistry. 63, 2, p. 230-240 11 p.
Research output: Contribution to journal › Article › peer-review

Robust identification of interactions between heat-stress responsive genes in the chicken brain using Bayesian networks and augmented expression data
Videla Rodriguez, E. A., Mitchell, J. B. O. & Smith, V. A., 2 Apr 2024, (Accepted/In press) In: Scientific Reports.
Research output: Contribution to journal › Article › peer-review

A Bayesian network structure learning approach to identify genes associated with stress in spleens of chickens
Videla Rodriguez, E. A., Mitchell, J. B. O. & Smith, V. A., 6 May 2022, In: Scientific Reports. 12, 8 p., 7482.
Research output: Contribution to journal › Article › peer-review

Allosteric inhibition of Acinetobacter baumannii ATP phosphoribosyltransferase by protein:dipeptide and protein:protein Interactions
Read, B. J., Fisher, G., Wissett, O. L. R., Machado, T. F. G., Nicholson, J., Mitchell, J. B. O. & da Silva, R. G., 14 Jan 2022, In: ACS Infectious Diseases. 8, 1, p. 197-209 13 p.
Research output: Contribution to journal › Article › peer-review

Computational insights into the catalytic mechanism of is-PETase: an enzyme capable of degrading poly(ethylene) terephthalate
Shrimpton-Phoenix, E., Mitchell, J. B. O. & Buehl, M., 15 Dec 2022, In: Chemistry - A European Journal. 28, 70, 7 p., e202201728.
Research output: Contribution to journal › Article › peer-review

Degree correlations in graphs with clique clustering
Mann, P. S., Smith, V. A., Mitchell, J. B. O. & Dobson, S. A., 30 Apr 2022, In: Physical Review. E, Statistical, nonlinear, and soft matter physics. 105, 4, 14 p., 044314.
Research output: Contribution to journal › Article › peer-review

N-strain epidemic model using bond percolation
Mann, P. S., Smith, V. A., Mitchell, J. B. O. & Dobson, S. A., 20 Jul 2022, In: Physical Review. E, Statistical, nonlinear, and soft matter physics. 106, 1, 20 p., 014304.
Research output: Contribution to journal › Article › peer-review

Practical application of a Bayesian network approach to poultry epigenetics and stress
Videla Rodriguez, E. A., Pértille, F., Guerrero-Bosagna, C., Mitchell, J. B. O., Jensen, P. & Smith, V. A., 1 Jul 2022, In: BMC Bioinformatics. 23, 16 p., 261.
Research output: Contribution to journal › Article › peer-review

Cooperative coinfection dynamics on clustered networks
Mann, P., Smith, V. A., Mitchell, J. B. O. & Dobson, S., 9 Apr 2021, In: Physical Review E. 103, 4, 042307.
Research output: Contribution to journal › Article › peer-review

Other publications

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 › peer-review

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 othersPulido, 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 › peer-review

Artificial intelligence in pharmaceutical research and development
Mitchell, J. B. O., Jul 2018, In: Future Medicinal Chemistry. 10, 13, p. 1529-1531 3 p.
Research output: Contribution to journal › Editorial › peer-review

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 othersMitchell, 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 › peer-review

Erratum to: Predicting Melting Points of Organic Molecules: Applications to Aqueous Solubility Prediction Using the General Solubility Equation (Molecular Informatics, 2015, 34, 11, (715-724), 10.1002/minf.201500052)
McDonagh, J. L., van Mourik, T. & Mitchell, J. B. O., 1 Oct 2016, In: Molecular Informatics. 1 p.
Research output: Contribution to journal › Comment/debate › peer-review

Erratum: "in silico target predictions: Defining a benchmarking data set and comparison of performance of the multiclass naïve bayes and parzen-rosenblatt window"
Koutsoukas, A., Lowe, R., Kalantarmotamedi, Y., Mussa, H. Y., Klaffke, W., Mitchell, J. B. O., Glen, R. C. & Bender, A., 28 Jul 2014, In: Journal of Chemical Information and Modeling. 54, 7, p. 2180-2182 3 p.
Research output: Contribution to journal › Comment/debate › peer-review

Communication and re-use of chemical information in bioscience
Murray-Rust, P., Mitchell, J. B. O. & Rzepa, H. S., 18 Jul 2005, In: BMC Bioinformatics. 6, 15 p., 180.
Research output: Contribution to journal › Editorial › peer-review

AMINO AROMATIC INTERACTIONS
Mitchell, J. B. O., NANDI, C. L., ALI, S., MCDONALD, J. K., THORNTON, J. M., PRICE, S. L. & SINGH, J., 2 Dec 1993, In: Nature. 366, 6454, p. 413-413 1 p.
Research output: Contribution to journal › Letter › peer-review