Intermolecular Interactions and Biomolecular Organisation

Emergent organisation in complex biomolecular systems

Complexity and self-organisation are critical yet poorly understood phenomena. This project aims to develop and apply mathematical and computational approaches that will identify principles governing the emergent organisation of selforganising biomolecular systems. Computational methods for characterising the dynamics of these intrinsically complex processes will be developed and applied to pro...

Emergent organisation in complex biomolecular systems

Modeling of biomolecular interactions

In the beginning of the 21st century, one of the main goals of society is to increase the quality of life and maintaining the full performance and physical activity throughout the whole lifetime. This leads to extremely rapid development of all areas of human knowledge related to the study of living matter and to fast application of the obtained results for society benefit. Special attention is...

Bifurcation and Chaos in Size-Dependent NEMS Considering Surface Energy Effect and Intermolecular Interactions

The impetus of this study is to investigate the chaotic behavior of a size-dependent nano-beam with double-sided electrostatic actuation, incorporating surface energy effect and intermolecular interactions. The geometrically nonlinear beam model is based on Euler-Bernoulli beam assumption. The influence of the small-scale and the surface energy effect are modeled by implementing the consistent ...

Perturbation analyses of intermolecular interactions.

Conformational fluctuations of a protein molecule are important to its function, and it is known that environmental molecules, such as water molecules, ions, and ligand molecules, significantly affect the function by changing the conformational fluctuations. However, it is difficult to systematically understand the role of environmental molecules because intermolecular interactions related to t...