A Parallel Algorithm for Bound-Smoothing

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A Parallel Algorithm for Bound-Smoothing
Determining molecular structure from interatomic distances is an important and challenging problem. Given a molecule with n atoms, lower and upper bounds on interatomic distances can usually be obtained only for a small subset of the nn,1 2 atom pairs, using NMR. Given the bounds so obtained on the distances between some of the atom pairs, it is often useful to compute tight bounds on all the nn,1 2 pairwise distances. This process is referred to as bound-smoothing. The initial lower and upper bounds for the pairwise distances not measured are usually assumed to
Kumar Rajan, Narsingh Deo
Added 03 Aug 2010
Updated 03 Aug 2010
Type Conference
Year 1999
Where IPPS
Authors Kumar Rajan, Narsingh Deo
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