Session Introduction
نویسندگان
چکیده
The field of molecular modeling has long recognized modeling the folding, assembly, and long-time dynamics of large macromolecules as its biggest challenge, since it is precisely at large size and long time scales that computational methods are most taxed. In response, many methods have been developed to reduce the computational cost by coarsening the granularity of the problem. Inevitably accuracy remains limited for these methods and so in recent years a consensus has emerged that we should work at more than one level of resolution, often simultaneously, in an approach known as multi-resolution modeling. We propose to organize a session on multi-resolution approaches to predict and analyze macromolecular structure, assembly and dynamics. This session will focus on state-of-the-art methodological developments and applications at different levels of molecular organization. Research directions are based on developments arising in the community field of the organizers, like the ones developed in the NIH Center for Biomedical Computation at Stanford University. In this proposal, the emphasis is made on integrative techniques for analysis of molecular structure and organization. Bridging the gap between computer science and structural biology, we represent an emerging community, presenting new efficient representations for the prediction and analysis of molecular structures and dynamics.
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