Improving Performance of Protein Structure Similarity Searching by Distributing Computations in Hierarchical Multi-Agent System

摘要

Since protein structure similarity searching is very complex and time-consuming, one of the possible acceleration methods is paral-lelization by distributing the calculation on multiple computers. In the paper, we present a theoretical model of the hierarchical multi-agent system dedicated to the task of protein structure similarity searching. We also show results of several numerical experiments confirming a suitability of such distribution for the similarity searching performed for the Muconate Lactonizing Enzyme (PDB ID = 1MUC) from the Pro tein Data Bank (PDB) against the database containing almost thousand randomly chosen molecules.