A Novel Approach for Fast Protein Structure Comparison and Heuristic Structure Database Searching Based on Residue EigenRank Scores

AuthorHeinke, F.; Hempel, L.; Labudde, D.
TypeConference Paper
AbstractWith the rapid growth of public protein structure databases, computational techniques for storing as well as comparing proteins in an efficient manner are still in demand. Proteins play a major role in virtually all processes in life, and comparing their three-dimensional structures is essential to understanding the functional and evolutionary relationships between them. In this study, a novel approach to compute three-dimensional protein structure alignments by means of so-called EigenRank score profiles is proposed. These scores are obtained by utilizing the LeaderRank algorithm-a vertex centrality indexing scheme originally introduced to infer the opinion leading role of individual actors in social networks. The obtained EigenRank representation of a given structure is not just highly-specific, but can also be used to compute profile alignments from which three-dimensional structure alignments can be rapidly deduced. This technique thus could provide a tool to rapidly scan entire databases containing thousands of structures.
ConferenceInternational Conference "Beyond Databases, Architectures and Structures" (BDAS) <15, 2019, Ustron>
PartKozielski, S.: Beyond databases, architectures and structures: Paving the road to smart data processing and analysis : 15th International Conference, BDAS 2019, Ustroń, Poland, May 28-31, 2019 : proceedings. Cham: Springer International Publishing, 2019. (Communications in computer and information science 1018), pp. 233-247
PartnISBN : 9783030190934