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Making in silico predictive models for toxicology FAIR.
Cronin MTD, Belfield SJ, Briggs KA, Enoch SJ, Firman JW, Frericks M, Garrard C, Maccallum PH, Madden JC, Pastor M, Sanz F, Soininen I, Sousoni D. Cronin MTD, et al. Among authors: maccallum ph. Regul Toxicol Pharmacol. 2023 May;140:105385. doi: 10.1016/j.yrtph.2023.105385. Epub 2023 Apr 8. Regul Toxicol Pharmacol. 2023. PMID: 37037390 Free article.
PathGrid: a service-orientated architecture for microscopy image analysis.
Walton NA, Brenton JD, Caldas C, Irwin MJ, Akram A, Gonzalez-Solares E, Lewis JR, Maccallum PH, Morris LJ, Rixon GT. Walton NA, et al. Among authors: maccallum ph. Philos Trans A Math Phys Eng Sci. 2010 Aug 28;368(1925):3937-52. doi: 10.1098/rsta.2010.0158. Philos Trans A Math Phys Eng Sci. 2010. PMID: 20643686
Coulombic interactions between partially charged main-chain atoms not hydrogen-bonded to each other influence the conformations of alpha-helices and antiparallel beta-sheet. A new method for analysing the forces between hydrogen bonding groups in proteins includes all the Coulombic interactions.
Maccallum PH, Poet R, Milner-White EJ. Maccallum PH, et al. J Mol Biol. 1995 Apr 28;248(2):361-73. doi: 10.1016/s0022-2836(95)80056-5. J Mol Biol. 1995. PMID: 7739046