Hyperbolic smoothing and penalty techniques applied to molecular structure determination

Hyperbolic smoothing and penalty techniques applied to molecular structure determination

0.00 Avg rating0 Votes
Article ID: iaor201111206
Volume: 39
Issue: 6
Start Page Number: 461
End Page Number: 465
Publication Date: Nov 2011
Journal: Operations Research Letters
Authors: , , ,
Keywords: geometry, penalty functions, smoothing, proteins
Abstract:

This work considers the problem of estimating the relative positions of all atoms of a protein, given a subset of all the pair-wise distances between the atoms. This problem is NP-hard, and the usual formulations are nonsmoothed and nonconvex, having a high number of local minima. Our contribution is an efficient method that combines the hyperbolic smoothing and the penalty techniques that are useful in obtaining differentiability and reducing the number of local minima.

Reviews

Required fields are marked *. Your email address will not be published.