Skip to main content

Supercomputer molecular modeling in biomedical research

The meeting of the seminar

«Supercomputer technologies

in science, education and industry»

Chairman of the organizing committee
Sadovnichy V.A. Sadovnichy V.A.
academician, rector of Lomonosov Moscow State University

Co-Chairs of the organizing committee
Voevodin Vl.V. Voevodin Vl.V.
Corr. RAS, Director of Research Computing Center of Moscow State University
Sokolov I.A. Sokolov I.A.
academician, dean of the faculty of Computational Mathematics and Cybernetics of Lomonosov Moscow State University
Tikhonravov A.V. Tikhonravov A.V.
D. in Physics and Mathematics, Professor, Research Computing Center of Moscow State University

Scientific Secretary of the seminar
Subin M.V. Shubin M.V.
Research Computing Center of Moscow State University

 

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)
Khrenova Maria G. Professor of the RAS, Doctor of Physical and Mathematical Sciences, Professor of the Department Physical Chemistry, Faculty of Chemistry, MSU
Polyakov Igor V. Ph.D., Senior Researcher, Faculty of Chemistry, MSU
Kulakova Anna M. Ph.D., Associate Professor, Faculty of Chemistry, MSU

Supercomputer molecular modeling in biomedical research

This report presents the results of systematic research on the development and application of modern supercomputer molecular modeling methods for the structures and functions of enzymes and proteins, as well as for determining the mechanisms of enzymatic reactions and their regulatory pathways. The authors have developed methods that enable the identification, at atomic resolution, of changes in the mechanisms of enzymatic processes and changes in inhibitor binding to protein targets during the development of pathologies associated with mutations in the corresponding genes. The report will also highlight current trends in the application of artificial intelligence methods in this field and demonstrate the potential for their combined application with molecular modeling methods.


The seminar will be held in person and as a webinar on the Kontur.Tolk platform.

To participate in the seminar, please enter your information in the Yandex form:

https://forms.yandex.ru/u/69c104b21f1eb5e8cab3d976

Please note that for better video communication quality, we recommend that you install the Kontur.Talk application in advance and access the conference through the application, NOT through your browser. Registration in Kontur.Talk is NOT required to participate in the conference.

Applications (desktop and mobile) can be downloaded at https://kontur.ru/talk#app.

If you plan to participate in person and you do not have a pass to MSU, you must fill out the form no later than March 31 (Tuesday). Please note that access will be allowed only through the southern entrance of the Second Building of MSU and only during the seminar.