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Information × Registration Number 0223U001465, 0121U110837 , R & D reports Title Integration of Grid-system and Cloud-technologies for solving problems on search of new heterocyclic compounds of benzopyrano- / benzamide nature as effective compounds with antimicrotubule activity popup.stage_title Head Blume Yaroslav B., Доктор біологічних наук Registration Date 28-01-2023 Organization Institute of Food Biotechnology and Genomics of the National Academy of Sciences of Ukraine popup.description2  As a result of the adaptation of the team's existing developments for implementation in the Grid and the involvement of cloud services, algorithms for processing large arrays of low-molecular-weight compounds are presented for the purpose of designing combinatorial libraries of ligands that meet the conditions of high-throughput screening by means of the Grid and the cloud. Modeling of different energy levels for reference molecules was performed using the Grid system and using Cloud technologies. The chemoinformatic and structural-biological design of the most promising pharmacophore models was carried out in order to identify hits when searching in the environment of ZINC and MolPort bases. Product Description popup.authors Blume Yaroslav B. Karpov Pavlo A. Ozheredov Sergiy P. Raievskyi Oleksii V. Samofalova Dariya O. Spivak Svitlana I. popup.nrat_date 2023-01-28 Close