Biomedical subjects

Ravi Janardan

Publications and source records attributed to Ravi Janardan.

3 recordsLinked to original sources

PubMed2004

Approximate multiple protein structure alignment using the sum-of-pairs distance.

An algorithm is presented to compute a multiple structure alignment for a set of proteins and to generate a consensus (pseudo) protein for the set. The algorithm is a heuristic in that it computes an approximation to the optimal multiple structure alignment that minimizes the sum of the pairwise distances between the protein structures. The algorithm chooses an input protein as the initial consensus and computes a correspondence between the protein structures (which are represented as sets of unit vectors) using an approach analogous to the center-star method for multiple sequence alignment. From this correspondence, a set of rotation matrices (optimal for the given correspondence) is derived to align the structures and derive the new consensus. The process is iterated until the sum of pairwise distances converges. The computation of the optimal rotations is itself an iterative process that both makes use of the current consensus and generates simultaneously a new one. This approach is based on an interesting result that allows the sum of all pairwise distances to be represented compactly as distances to the consensus. Experimental results on several protein families are presented, showing that the algorithm converges quite rapidly.

Algorithms↗

PubMed2004

An optimization criterion for generalized discriminant analysis on undersampled problems.

An optimization criterion is presented for discriminant analysis. The criterion extends the optimization criteria of the classical Linear Discriminant Analysis (LDA) through the use of the pseudoinverse when the scatter matrices are singular. It is applicable regardless of the relative sizes of the data dimension and sample size, overcoming a limitation of classical LDA. The optimization problem can be solved analytically by applying the Generalized Singular Value Decomposition (GSVD) technique. The pseudoinverse has been suggested and used for undersampled problems in the past, where the data dimension exceeds the number of data points. The criterion proposed in this paper provides a theoretical justification for this procedure. An approximation algorithm for the GSVD-based approach is also presented. It reduces the computational complexity by finding subclusters of each cluster and uses their centroids to capture the structure of each cluster. This reduced problem yields much smaller matrices to which the GSVD can be applied efficiently. Experiments on text data, with up to 7,000 dimensions, show that the approximation algorithm produces results that are close to those produced by the exact algorithm.

Algorithms↗

PubMed2004

Pairwise protein structure alignment based on an orientation-independent backbone representation.

Determining structural similarities between proteins is an important problem since it can help identify functional and evolutionary relationships. In this paper, an algorithm is proposed to align two protein structures. Given the protein backbones, the algorithm finds a rigid motion of one backbone onto the other such that large substructures are matched. The algorithm uses a representation of the backbones that is independent of their relative orientations in space and applies dynamic programming to this representation to compute an initial alignment, which is then refined iteratively. Experiments indicate that the algorithm is competitive with two well-known algorithms, namely DALI and LOCK.

Algorithms↗