The use of local covalent geometry for quality assessment and refinement of protein structure models is a well-established methodology. The question arises whether information on non-covalent geometry contained within resolved structures can be harnessed to improve structure prediction. Moreover, incorporation of different combinations of priors would pave the way towards multi-body potentials. Ex...Show More
We show that multiple structure alignment (MStA) using contact maps is equivalent to the problem of finding a sample mean of contact maps. From this result, we derive a subgradient method for solving the MStA method. Experiments show that the proposed algorithm is a flexible alignment method that provides an excellent tradeoff between accuracy and speed.Show More