The meeting of the seminar
«Supercomputer technologies
in science, education and industry»
| Chairman of the organizing committee | |
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Sadovnichy V.A. academician, rector of Lomonosov Moscow State University |
Co-Chairs of the organizing committee |
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Voevodin Vl.V. Corr. RAS, Director of Research Computing Center of Moscow State University |
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Sokolov I.A. academician, dean of the faculty of Computational Mathematics and Cybernetics of Lomonosov Moscow State University |
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Tikhonravov A.V. D. in Physics and Mathematics, Professor, Research Computing Center of Moscow State University |
Scientific Secretary of the seminar |
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| Kutov D.K. Research Computing Center of Moscow State University |
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The seminar was organized on the basis of the Scientific and Educational Center «Supercomputer Technologies». The reports cover all aspects of the use of supercomputers, parallel computing systems and distributed data processing methods for solving large computational problems. The seminar has a pronounced interdisciplinary nature, however, the various nuances of using supercomputer technologies are of interest to researchers from various fields.
The seminar is supported by the Moscow Center of Fundamental and Applied Mathematics.
Researchers, teachers, graduate and undergraduate students are invited.
PROGRAM
16:20 GMT+3
| Gudimchuk N.B. Ph.D., Senior Scientist, Department of Biophysics, Faculty of Physics MSU; Head of the Laboratory of Cytoskeleton Biophysics, Center for theoretical problems of physico-chemical pharmacology RAS |
| Alexandrova V.V. Junior Scientist, Department of Biophysics, Faculty of Physics, MSU |
| Fedorov V.A. Ph.D., Scientist, Department of Biology, Faculty of Biology, MSU |
| Kholina E.G. Ph.D., Assistant of the Biology Department, MSU |
| Kovalenko I.B. Ph.D., Senior Scientist, Faculty of Biology, MSU |
| Ataullakhanov F.I. Academician of the Russian Academy of Sciences, Doctor of Biological Sciences, Scientific Director of the Center for theoretical problems of physico-chemical pharmacology RAS; Professor, University of Pennsylvania |
From molecules to cells: computer modeling of microtubule dynamics on the Lomonosov-2 supercomputer
Microtubules are polymers of the tubulin protein that are part of the cell skeleton and play an important role in various aspects of cell physiology. Their nonequilibrium dynamics, unusual mechanical properties, diversity of functions, and medical relevance as targets for cancer chemotherapy drugs have stimulated active experimental and theoretical research on microtubules for more than thirty years. This talk will present the results of computational modeling of microtubules by our group over the past decade. Our computational efforts have focused on understanding microtubules through a set of models at multiple spatial and temporal scales, starting by exploring the properties of tubulin dimers as building blocks and further explaining how these properties contribute to processes at larger scales such as assembly/disassembly and force generation by microtubules. The methodology included a variety of approaches ranging from all-atom molecular dynamics to more “coarse-grained” characterization options such as Brownian dynamics and Monte Carlo simulations. In this talk, we will discuss some technical aspects of modeling, such as the computational performance of different types of simulations, current limitations, and promising directions for further characterization of microtubule dynamics, and possibly many other cellular systems, using a multi-scale approach.
The seminar session will be held in a mixed format: in person and in the form of a webinar on the Kontur.Talk platform.
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