RSK Group has announced a doubling of the performance of energy-efficient supercomputer, developed by its professionals to solve complex scientific problems in the laboratory supercomputing technology to biomedicine, pharmacology, and small-size structures
The unit was created on the basis of MIPT in the grant of the Russian government in 2010. Now, thanks to the increased twice to 83,14 TFLOPS (trillion operations per second over the floating-point numbers) peak performance supercomputer, Russian scientists will be able to carry out more extensive research to achieve regular success in modeling the behavior of viruses and the future creation of new drugs to combat many dangerous diseases.
Over time, the use of a supercomputer in a lab I-SCALARE already achieved a number of new scientific findings, according to a press release from DCS.
For example, a research team led by Professor Efremov’s novel at the Institute of Bioorganic Chemistry RAS uses a computer cluster at MIPT for research in the design of a new class of antimicrobial compounds based on natural lantibiotic. During the development of this project, the calculations and simulations obtained microsecond molecular dynamics trajectory of the target of action of antibiotics (lipid molecules-II) in the membrane of bacteria.
Problem of modeling the structure of the protein shell and molecular dynamics dangerous to human viruses such Flavivirus (eg, dengue virus) and their interaction with cells of the body are solved on a supercomputer scientists research team chemistry department of Moscow State University. MV University. According to lead researcher Vladimir Palyulin, in the course of the research molecular models built virion membranes and protein shell fragment comprising millions of atoms. It is possible to obtain information on the spatial structure of a viral protein that is not available experimental methods, and then analyze its dynamic behavior and linking it with molecules that prevent the flavivirus fusion with human cells.