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Coarse-grained Modeling of Flexible Biomolecular Complexes

By Shoji Takada
Department of Biophysics, Graduate School of Science, Kyoto University

Biomolecules are highly hierarchic and intrinsically flexible. Thus, computational modeling calls for multi-scale methodologies. We have been developing a coarse-grained biomolecular model where on-average 10-20 atoms are grouped into one coarse-grained (CG) particle. Interactions among CG particles are tuned based on atomistic interactions and by fitting physical properties with experiments. Here, we describe our CG modeling methodology for protein-DNA complexes, together with various biological applications, such as the DNA duplication initiation complex, model chromatins, and transcription factor dynamics on chromatin-like environment. 

Earlier Event: August 25
Multi-scale Modeling of Macromolecules
Later Event: August 25