A quadratic assignment formulation of the molecular conformation problem

AT Phillips, JB Rosen - Journal of Global Optimization, 1994 - Springer
AT Phillips, JB Rosen
Journal of Global Optimization, 1994Springer
… In this paper, the molecular conformation problem is formulated so that it can be solved
by a two stage approach. The problem is first modeled by a discrete approximation on a 3-dimensionM
lattice. This discrete latticemodel can be … Discretizing this problem using a 5 • 5 • 5 lattice
with a uniform grid spacing of 1.4 aug, we get the quadratic assignment problem (5) with
500 zero-one variables and 129 linear constraints. Of course the equivalent concave …
Abstract
The molecular conformation problem is discussed, and a concave quadratic global minimization approach for solving it is described. This approach is based on a quadratic assignment formulation of a discrete approximation to the original problem.
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