SUMMARY OF THE TUTORIAL TOPIC MULTI-RESOLUTION MODELING OF BIOLOGICAL MACROMOLECULES

Biological macromolecular modeling can be approached at various levels of resolution. At the coarsest level, a macromolecule can be treated as a single particle, while at the finest level each atom can be treated as a separate entity. There are many levels in between, in which for example the smallest unit may be a piece of secondary structure, a single residue, or chemical groups such as bases and ribose rings. A simulation can be carried out at any level of resolution, or different levels can be used for the same problem either serially or in parallel. Furthermore, the force field and the kinematics can be treated at different levels of granularity, for example secondary structure elements can be rigidified while inter-element interactions can be treated at the all-atom level of resolution. Our session is focused on emerging multi-resolution approaches to predict and analyze structure, assembly and dynamics of biological macromolecules. These approaches contain a wide range of tools such as force fields, sampling, structure prediction, and dynamics methods. We have developed a tutorial session in order to address the issues and background relevant to the multi-resolution modeling of biological macromolecules. Dr. Ruhong Zhou from IBM will start the tutorial session by introducing the idea of the multi-resolution modeling using the human heart as an example. As we know, heart disease is the leading killer in the developed world. One goal of computational biology is to by provide accurate mathematical models of the heart and heart tissues. However, due to the extrem