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Information × Registration Number 0214U006822, 0113U005318 , R & D reports Title Development and adaptation of software of SCIT-4 cluster for solving of tasks of structural biology popup.stage_title Head Kornelyuk Alexander Ivanovych, Registration Date 25-02-2014 Organization Institute of molecular biology & genetics popup.description2 The aim of the project is the development of updated packages for molecular modeling of proteins and their complexes and introduction of new services for the computer analysis of the molecular dynamics of biopolymers based on SCIT-4 supercomputer of Glushkov Institute of Cybernetic of NAS of Ukraine. 1. Formed applicability criteria of existing software and techniques for analyzing the dynamics of biological systems. Designed software infrastructure for innovative analysis of the dynamics of biological systems. 2. Installed application software of latest versions (GROMACS, NAMD, Pteros, ORCA) and adaptaed to graphics accelerators . 3. Performed analysis of user interfaces of software for tasks monitoring system. 4. Created software infrastructure to develop and implement innovative methods of analysis. Developed software, based on Pteros libraries, for analysis of biological systems using innovative methods that are not implemented in available software. Product Description popup.authors Єсилевський Семен Олександрович Головинський Андрій Леонідович Зубатюк Роман Ігоревич Микуляк Василь Васильович Савицький Олександр Вячеславович Сальніков Андрій Олександрович Слюсар Євген Андрійович popup.nrat_date 2020-04-02 Close