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cs.CE2016
Bias Correction in Saupe Tensor Estimation
Yuehaw Khoo, Amit Singer, David Cowburn
Estimation of the Saupe tensor is central to the determination of molecular structures from residual dipolar couplings (RDC) or chemical shift anisotropies. Assuming a given templa…
cs.CE2016
Integrating NOE and RDC using sum-of-squares relaxation for protein structure determination
Yuehaw Khoo, Amit Singer, David Cowburn
We revisit the problem of protein structure determination from geometrical restraints from NMR, using convex optimization. It is well-known that the NP-hard distance geometry probl…