Calculations of the free energy of interaction of the c-Fos−c-Jun coiled coil: Effects of the solvation model and the inclusion of polarization effects

The leucine zipper region of activator protein-1 (AP-1) comprises the c-Jun and c-Fos proteins and constitutes a well-known coiled coil protein−protein interaction motif. We have used molecular dynamics (MD) simulations in conjunction with the molecular mechanics/Poisson−Boltzmann generalized-Born surface area [MM/PB(GB)SA] methods to predict the free energy of interaction of these proteins. In particular, the influence of the choice of solvation model, protein force field, and water potential on the stability and dynamic properties of the c-Fos−c-Jun complex were investigated. Use of the AMBER polarizable force field ff02 in combination with the polarizable POL3 water potential was found to result in increased stability of the c-Fos−c-Jun complex. MM/PB(GB)SA calculations revealed that MD simulations using the POL3 water potential give the lowest predicted free energies of interaction compared to other nonpolarizable water potentials. In addition, the calculated absolute free energy of binding was predicted to be closest to the experimental value using the MM/GBSA method with independent MD simulation trajectories using the POL3 water potential and the polarizable ff02 force field, while all other binding affinities were overestimated.

Imagination for inclusion: Shared understandings across diverse contexts of educational practice

This chapter explores inclusive education as a social imaginary; that is, a common understanding that has become a global perspective. We trace the roots of inclusive education in early movements for social justice and the development of special education and note that these two domains continue to be seen in the ongoing tensions within the practice of inclusive education. We conclude that although much has been achieved in opening up greater opportunities for all children and young people to participate in and engage with education, there is still much work to be done. Creative imagining, discursive dialogue, and courageous actions in breaking down barriers in schools and communities will strengthen the local and global social imaginary of inclusive education, thus affording even greater opportunities for all children and young people regardless of any categorisation that may have been applied to their differences.

The inclusion of geography in TIMSS: Can consensus be reached?

An initial call by the editors of International Research in Geographical and Environmental Education (IRGEE) prompted a study about the inclusion of geography in the Trends in International Mathematics and Science Study (TIMSS) tests. This study found that the geography education community were overwhelmingly in favour of such a move, believing that the information collected would be valuable in enhancing learning outcomes through its impact on research, policy and teaching practice (Lane & Bourke, 2016). However, a number of questions about the development and implementation of this assessment were posed. This paper addresses two of these questions: (1) What is the global geographical education community’s views about Grades 4 and 8 as target year levels for the assessment?; and, (2) What types of knowledge and cognitive dimensions would they like to see assessed? Based on these findings, the overarching key question that requires further discussion is: Can there be some degree of consensus in terms of what should be assessed and how the test should be implemented?