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Information × Registration Number 0120U102658, R & D request Title Modernization of software and hardware of the IMBG cluster of the National Academy of Sciences of Ukraine for technical support of the MolDynGrid virtual laboratory Head Kornelyuk Olexander I., Доктор біологічних наук Registration Date 28-05-2020 Organization Institute of Molecular Biology and Genetics of NAS of Ukraine popup.description1 The aim of the project is to integrate the distributed database of molecular dynamics of the MolDynGrid virtual laboratory with the cloud environment of the National Academy of Sciences of Ukraine. Currently, in the Ukrainian national grid segment with the help of the integrated environment of the virtual laboratory MolDynGrid intensive calculations of molecular dynamics of proteins that are targets for the development of new drugs. In addition, the Department of Protein Engineering and Bioinformatics conducts experimental studies of proteins and their nanocomposite complexes by NMR spectroscopy together with Polish researchers. At the same time there is a need for correlation of MD and NMR data. The integration of the distributed database with the cloud environment of the National Academy of Sciences of Ukraine will allow its use both in Ukraine and abroad and opens prospects for expanding cooperation with foreign colleagues.The resulting methods and software expected after the project are part of solving the problem of correlation of large volumes of data on molecular dynamics calculations with experimental data on the study of protein dynamics by NMR spectroscopy, which is important for the development of bionanotechnology. popup.nrat_date 2024-12-10 Close