The ‘allosteron’ model for entropic allostery of self-assembly (2018)
Journal Article
McLeish, T., Schaefer, C., & von der Heydt, A. (2018). The ‘allosteron’ model for entropic allostery of self-assembly. Philosophical Transactions of the Royal Society B: Biological Sciences, 373(1749), Article 20170186. https://doi.org/10.1098/rstb.2017.0186

Using the simple ‘allosteron’ model, we show that it is possible, in principle, to elicit pathways by which fluctuation allostery affects self-assembly of protein complexes. We treat the cases of (i) protein fibrils and nucleation, (ii) n-mer protein... Read More about The ‘allosteron’ model for entropic allostery of self-assembly.

Unity and Symmetry in the De Luce of Robert Grosseteste (2016)
Book Chapter
Tanner, B., Bower, R., McLeish, T., & Gasper, G. E. (2016). Unity and Symmetry in the De Luce of Robert Grosseteste. In J. P. Cunningham, & M. Hocknull (Eds.), Robert Grosseteste and the Pursuit of Religious and Scientific learning in the Middle-Ages (3-20). Springer Verlag. https://doi.org/10.1007/978-3-319-33468-4_1

Elasticity dominated surface segregation of small molecules in polymer mixtures (2016)
Journal Article
Krawczyk, J., Croce, S., McLeish, T., & Chakrabarti, B. (2016). Elasticity dominated surface segregation of small molecules in polymer mixtures. Physical Review Letters, 116(20), Article 208301. https://doi.org/10.1103/physrevlett.116.208301

We study the phenomenon of migration of the small molecular weight component of a binary polymer mixture to the free surface using mean field and self-consistent field theories. By proposing a free energy functional that incorporates polymer-matrix e... Read More about Elasticity dominated surface segregation of small molecules in polymer mixtures.

Physical Biology of Proteins and Peptides (2015)
Book
Townsend, P., Rodgers, T., Pohl, E., Wilson, M., Cann, M., & McLeish, T. (2015). Physical Biology of Proteins and Peptides. Springer Verlag. https://doi.org/10.1007/978-3-319-21687-4

Are there ergodic limits to evolution? Ergodic exploration of genome space and convergence (2015)
Journal Article
McLeish, T. (2015). Are there ergodic limits to evolution? Ergodic exploration of genome space and convergence. Interface Focus, 5(6), Article 20150041. https://doi.org/10.1098/rsfs.2015.0041

We examine the analogy between evolutionary dynamics and statistical mechanics to include the fundamental question of ergodicity—the representative exploration of the space of possible states (in the case of evolution this is genome space). Several p... Read More about Are there ergodic limits to evolution? Ergodic exploration of genome space and convergence.

Dynamic Transmission of Protein Allostery without Structural Change: Spatial Pathways or Global Modes? (2015)
Journal Article
McLeish, T., Cann, M., & Rodgers, T. (2015). Dynamic Transmission of Protein Allostery without Structural Change: Spatial Pathways or Global Modes?. Biophysical Journal, 109(6), 1240-1250. https://doi.org/10.1016/j.bpj.2015.08.009

We examine the contrast between mechanisms for allosteric signaling that involve structural change, and those that do not, from the perspective of allosteric pathways. In particular we treat in detail the case of fluctuation-allostery by which amplit... Read More about Dynamic Transmission of Protein Allostery without Structural Change: Spatial Pathways or Global Modes?.

The role of protein-ligand contacts in allosteric regulation of the Escherichia coli Catabolite Activator Protein (2015)
Journal Article
Townsend, P., Rodgers, T., Glover, L., Korhonen, H., Richards, S., Colwell, L., …Cann, M. (2015). The role of protein-ligand contacts in allosteric regulation of the Escherichia coli Catabolite Activator Protein. Journal of Biological Chemistry, 290(36), 22225-22235. https://doi.org/10.1074/jbc.m115.669267

Allostery is a fundamental process by which ligand binding to a protein alters its activity at a distant site. Both experimental and theoretical evidence demonstrate that allostery can be communicated through altered slow relaxation protein dynamics... Read More about The role of protein-ligand contacts in allosteric regulation of the Escherichia coli Catabolite Activator Protein.

The search for affirming narratives for the future governance of thechnology : reflections from a science-theology persective on GMFuturos (2015)
Book Chapter
McLeish, T. (2016). The search for affirming narratives for the future governance of thechnology : reflections from a science-theology persective on GMFuturos. In P. Macnaghten, & S. Carro-Ripalda (Eds.), Governing agricultural sustainability : global lessons from GM crops (192-197). Routledge

Global low-frequency motions in protein allostery: CAP as a model system (2015)
Journal Article
Townsend, P., Rogers, T., Pohl, E., Wilson, M., McLeish, T., & Cann, M. (2015). Global low-frequency motions in protein allostery: CAP as a model system. Biophysical Reviews, 7(2), 175-182. https://doi.org/10.1007/s12551-015-0163-9

Allostery is a fundamental process by which ligand binding to a protein alters its activity at a distant site. There is considerable evidence that allosteric cooperativity can be communicated by the modulation of protein dynamics without conformation... Read More about Global low-frequency motions in protein allostery: CAP as a model system.

Delayed self-regulation and time-dependent chemical drive leads to novel states in epigenetic landscapes (2014)
Journal Article
Mitra, M., Taylor, P., Hutchison, C., McLeish, T., & Chakrabarti, B. (2014). Delayed self-regulation and time-dependent chemical drive leads to novel states in epigenetic landscapes. Journal of the Royal Society. Interface, 11(100), https://doi.org/10.1098/rsif.2014.0706

The epigenetic pathway of a cell as it differentiates from a stem cell state to a mature lineage-committed one has been historically understood in terms of Waddington's landscape, consisting of hills and valleys. The smooth top and valley-strewn bott... Read More about Delayed self-regulation and time-dependent chemical drive leads to novel states in epigenetic landscapes.

All the colours of the rainbow (2014)
Journal Article
Smithson, H. E., Gasper, G. E., & McLeish, T. C. (2014). All the colours of the rainbow. Nature Physics, 10(8), 540-542. https://doi.org/10.1038/nphys3052

Our perception of colour has always been a source of fascination, so it's little wonder that studies of the phenomenon date back hundreds of years. What, though, can modern scientists learn from medieval literature — and how do we go about it?

A medieval multiverse?: Mathematical modelling of the thirteenth century universe of Robert Grosseteste (2014)
Journal Article
Bower, R., McLeish, T., Tanner, B., Smithson, H., Panti, C., Lewis, N., & Gasper, G. (2014). A medieval multiverse?: Mathematical modelling of the thirteenth century universe of Robert Grosseteste. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 470(2167), Article 40025. https://doi.org/10.1098/rspa.2014.0025

In his treatise on light, written about 1225, Robert Grosseteste describes a cosmological model in which the universe is created in a big-bang-like explosion and subsequent condensation. He postulates that the fundamental coupling of light and matter... Read More about A medieval multiverse?: Mathematical modelling of the thirteenth century universe of Robert Grosseteste.

Large amplitude oscillatory shear and Fourier transform rheology analysis of branched polymer melts (2014)
Journal Article
Hoyle, D. M., Auhl, D., Harlen, O., Barroso, V., Wilhelm, M., & McLeish, T. (2014). Large amplitude oscillatory shear and Fourier transform rheology analysis of branched polymer melts. Journal of Rheology, 58(4), https://doi.org/10.1122/1.4881467

In this paper, the predictions of the Pompom constitutive model in medium and large amplitude oscillatory shear (LAOS) are examined using Fourier transform rheology (FTR). FTR is commonly used in combination with small amplitude oscillatory shear to... Read More about Large amplitude oscillatory shear and Fourier transform rheology analysis of branched polymer melts.

The Role of High-Dimensional Diffusive Search, Stabilization, and Frustration in Protein Folding (2014)
Journal Article
Rimratchada, S., McLeish, T., Radford, S., & Paci, E. (2014). The Role of High-Dimensional Diffusive Search, Stabilization, and Frustration in Protein Folding. Biophysical Journal, 106(8), 1729-1740. https://doi.org/10.1016/j.bpj.2014.01.051

Proteins are polymeric molecules with many degrees of conformational freedom whose internal energetic interactions are typically screened to small distances. Therefore, in the high-dimensional conformation space of a protein, the energy landscape is... Read More about The Role of High-Dimensional Diffusive Search, Stabilization, and Frustration in Protein Folding.

Numerical prediction of nonlinear rheology of branched polymer melts (2014)
Journal Article
Das, C., Read, D., Auhl, D., Kapnistos, M., den Doelder, J., Vittorias, I., & McLeish, T. (2014). Numerical prediction of nonlinear rheology of branched polymer melts. Journal of Rheology, 58(3), 737-757. https://doi.org/10.1122/1.4869485

In a recent short communication [Read, D. J. et al., Science 333, 1871 (2011)], we showed that a computational scheme can describe the nonlinear flow properties for a series of industrial low-density polyethylene (LDPE) resins starting from the molec... Read More about Numerical prediction of nonlinear rheology of branched polymer melts.

Allostery without conformation change: modelling protein dynamics at multiple scales (2013)
Journal Article
McLeish, T. C., Rodgers, T., & Wilson, M. R. (2013). Allostery without conformation change: modelling protein dynamics at multiple scales. Physical Biology, 10(5), https://doi.org/10.1088/1478-3975/10/5/056004

The original ideas of Cooper and Dryden, that allosteric signalling can be induced between distant binding sites on proteins without any change in mean structural conformation, has proved to be a remarkably prescient insight into the rich structure o... Read More about Allostery without conformation change: modelling protein dynamics at multiple scales.

DDPT: a comprehensive toolbox for the analysis of protein motion (2013)
Journal Article
Rodgers Thomas, L., Burnell, D., Townsend, P. D., Pohl, E., Cann, M. J., Wilson, M. R., & McLeish, T. C. (2013). DDPT: a comprehensive toolbox for the analysis of protein motion. BMC Bioinformatics, 14(1), Article 183. https://doi.org/10.1186/1471-2105-14-183

Background: Normal Mode Analysis is one of the most successful techniques for studying motions in proteins and macromolecules. It can provide information on the mechanism of protein functions, used to aid crystallography and NMR data reconstruction,... Read More about DDPT: a comprehensive toolbox for the analysis of protein motion.

Transient overshoot extensional rheology of long-chain branched polyethylenes: Experimental and numerical comparisons between filament stretching and cross-slot flow (2013)
Journal Article
Hoyle, D. M., Huang, Q., Auhl, D., Hassell, D., Rasmussen, H., Skov, A., …McLeish, T. (2013). Transient overshoot extensional rheology of long-chain branched polyethylenes: Experimental and numerical comparisons between filament stretching and cross-slot flow. Journal of Rheology, 57(1), 293-313. https://doi.org/10.1122/1.4767982

This work analyses the high-strain extensional behavior of long-chain branched polyethylenes, employing two novel extensional rheometer devices, the filament stretching rheometer and the cross-slot extensional rheometer. The filament stretching rheom... Read More about Transient overshoot extensional rheology of long-chain branched polyethylenes: Experimental and numerical comparisons between filament stretching and cross-slot flow.

Correction to In Silico Molecular Design, Synthesis, Characterization, and Rheology of Dendritically Branched Polymers: Closing the Design Loop (vol 1, pg 404, 2012) (2012)
Journal Article
Hutchings, L. R., Kimani, S. M., Hoyle, D. M., Read, D. J., Das, C., McLeish, T. C., …Auhl, D. (2012). Correction to In Silico Molecular Design, Synthesis, Characterization, and Rheology of Dendritically Branched Polymers: Closing the Design Loop (vol 1, pg 404, 2012). ACS Macro Letters, 1(6), https://doi.org/10.1021/mz300263m

In Silico Molecular Design, Synthesis, Characterization, and Rheology of Dendritically Branched Polymers: Closing the Design Loop (2012)
Journal Article
Hutchings, L. R., Kimani, S. M., Hoyle, D. M., Read, D. J., Das, C., McLeish, T. C., …Auhl, D. (2012). In Silico Molecular Design, Synthesis, Characterization, and Rheology of Dendritically Branched Polymers: Closing the Design Loop. ACS Macro Letters, 1(3), 404-408. https://doi.org/10.1021/mz300059k

It has been a long held ambition of both industry and academia to understand the relationship between the often complex molecular architecture of polymer chains and their melt flow properties, with the goal of building robust theoretical models to pr... Read More about In Silico Molecular Design, Synthesis, Characterization, and Rheology of Dendritically Branched Polymers: Closing the Design Loop.