Presented under the auspices of the Special Focus on Data Analysis and Mining and the Special Focus on Computational Molecular Biology.
Theme and Goals: An important problem in structural molecular biology is the problem of determining 3-dimensional molecular structure using NMR spectroscopy. One critical step in inferring molecular structure from NMR data involves computing a 3-dimensional configuration of points that is consistent with a specified set of lower and upper bounds on the interpoint distances. This step can be formulated, in various ways, as a numerical optimization problem. This research week will allow several researchers who are currently developing new algorithms for such problems to interact and collaborate, ideally leading to several co-authored papers.