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Information × Registration Number 0211U006183, 0110U005175 , R & D reports Title Grid computing for bioinformatic cytoskeleton research and efficient virtual screening of new anti-microtubule agents for pharmaceutical and plant protection purposes popup.stage_title Head Blume Ya.B., Registration Date 28-02-2011 Organization Institute of Food Biotechnology and Cenomics of the National Academy of Sciences of Ukraine popup.description2 An bioinformatic research of primary sequences of human alpha-and beta-tubulin was performed. Based on PDB-data, spatial structure of several plant cytoskeleton proteins was reconstructed: alpha-tubulin from Avena sativa, FtsZ-protein from Arabidopsis thaliana, etc. The structure of binding site for nine dynitroanilin compounds in molecule of A. thaliana FtsZ-protein cytosolic form was specified. Identified and analyzed 26 compounds, forming complex with A. sativa alpha-tubulin. Obtained complex was verificated on the ground of results of molecular dynamics calculations in Grid. Efficiency of CPU and GPU computations of molecular docking was studied. Product Description popup.authors Ємець А.І. Демчук О.М. Карпов П.А. Пидюра М.О. Раєвський О.В. Самофалова Д.О. Співак С.І. Чехович О.Г. popup.nrat_date 2020-04-02 Close