... Supercomputing Technologies in Science, Education and Industry Almanac Series . ... Octoshell: Lightweight and Innovative Cluster Management System . ... AREA: Inorganic Chemistry . ... Moscow State Uiversity . ... USAGE: Fundamental science - inorganic chemistry, solid state chemistry, materials science . AREA: Inorganic Chemistry, Physical Chemistry, Structure and Dynamics of Atomic-Molecular Systems . ... Research Computing Center (RCC) of Lomonosov Moscow State University . ...

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• APPLICATIONS: Optics and Quantum Electronics | Moscow University Supercomputing
• APPLICATIONS: Theoretical Physics | Moscow University Supercomputing Center
• APPLICATIONS: Physical Chemistry | Moscow University Supercomputing Center

... Simulation of a molecular structure formation as a result of thermal disruption in amorphous carbon" . ... The IBM BlueGene/P supercomputer installed at the Faculty of Computational Mathematics and Cybernetics of the Lomonosov Moscow State University was used. Keywords: multiscale quantum molecular dynamics codes, phase transition in amorphous carbon, phase change memory, nanotechnology, supercomputer IBM BlueGene/P. PDF (Full text in Russian, References in English) (1.58MB) . ...

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• "Machine learning algorithms for analysis and categorization of electronic text

... Computer software has been developed for crystal chemistry analysis of arrangement of molecules in organic crystals on the basis of concepts worked out in the studies conducted by P.M.Zorky et al. ... The standard crystal chemistry analysis includes: . ... Constructing various graphic representations of the crystal structure and of its fragments, which clearly demonstrate arrangement of molecules, in particular, constructing representations of the most close molecule-molecule contacts. ...

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• The Molecular Structure of 2-Chloroacrolein Studied by Gas Electron
• Structure of the Chemistry Department of Moscow State University
• Moscow University Chemistry Bulletin Vol. 51, No. 5, P. 381 (2010)

... Synthesis, Crystal and Electronic Structure of Subvalent Metal Compounds . Head of the Group: Prof. B.A.Popovkin . Group Staff . ... Main research interests - design and synthesis of new inorganic compounds with isolated cluster fragments or low-dimensional extended systems of homo- or heteronuclear metal-metal bonds; the search for new compounds featuring drastic anisotropy of physical properties; determination of correlations between crystal and electronic structures of such compounds. ...

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• CLUSTERS AND EXTENDED METAL-META

Электронная библиотека Попечительского совета . ... Domcke W., Yarkony D., Koppel H. - Conical Intersections: Electronic Structure, Dynamics Spectroscopy . ... Название: Conical Intersections: Electronic Structure, Dynamics Spectroscopy . ... Finally, Section III deals with the role of conical intersections for researchers in the fields of molecular electronic-structure theory, molecular spectroscopy, photochemistry and chemical-reaction dynamics. ...

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• Springborg M. - Methods of Electronic-Structure Calculations: From Molecules to
• Schwerdtfeger P. - Relativistic Electronic Structure Theory: Applications, Vol.
• Gavezzotti A. - Molecular Aggregation: Structure Analysis and Molecular

S .. ... a database of structures of DNA-protein and RNA-protein complexes. ... a program for finding hydrophobic clusters in 3D structures of macromolecules . ... search of conserved hydrophobic clusters in aligned 3D structures of protein families . ... a program for analysis of multiple alignments . ... a program for automatic detection of aligned blocks in a multiple protein alignment. ... a program for detection of aligned blocks in a multiple alignment of sequences of PDB chains. ...

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• S publications
• Inquiry information || Distances
• Molecular biology databases

Items Added in November & December, 1998: . Dataplore -- software tool for analysis of signals and time series data.[ ... Oberon V4 for GNU/Linux -- an implementation of Oberon V4 for Linux.[1998/12/29] . ... Nightfall -- interactive astronomy application for animated views of eclipsing binary stars.[ ... TAL -- an Eiffel OO library for technical analysis applications.[ ... C/Math Toolchest -- C/C++ library for scientific and engineering applications. ... SAL Home | New Items Page | ...

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• SAL- Numerical Analysis - Source Code Repositories - Collaborative
• SAL -- Scientific Applications on Linux -- New Items Added in 2000/03 and
• SAL- Other Scientific Fields - Chemistry, Biology Related - VMD

... If there's no significant multiple alignment , including the sequence, that you interest, then the secondary structure is built, using only the energy model (just the potential energy of the system is minimized), but very often such method will give unreliable results. ... It should be mentioned that by default, at alignment case, the RNA secondary structure will be predicted for the first sequence of the alignment. ... It is done through optimizing, not the real, but model energy of the structure. ...

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• Screening protein sequence against PROSITE databank
• Databases
• Bioinformatics portal, Moscow State University

... Only by numerical simulation. ... moment T (K) Dipole moment (D) Experiment Other example: Diffusion constant 200 250 298 350 400 2.40 2.37 2.48 2.59 2.80 2.25 The Distribution functions: radial distribution function 1 g (r) = N t =1 j i N TS N pair ( r - rij ) The Distribution functions: radial distribution function CC def 2 Work mode ­ computer related 1) · Perform simulation , create trajectory file · Calculate properties timestep by timestep 2) · Perform ...

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... Research programm of the laboratory-chair< . ... Laboratory-chair of Discrete mechanics on a microscopic scale . ... Thus the structures of the physical world are not physical objects but physical processes. ... The primitive entity is called a material point. ... The value of the property “existence” of the material point varies from “the material point does not exist” to “the material point exists” by this process. ... Let call this structure a dynamical graph or a d-graph. ...

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Выберите категорию обращения: Общие вопросы Отчеты Рейтинги Диссертационные советы Конкурсы Ввод данных Структура организаций Пользователи Проблемы с регистрацией\входом в систему . ... Войти в систему . ... Lindsjo M. , Kloo L. , Kuznetzov A. , Popovkin B. в журнале European Journal of Inorganic Chemistry , издательство John Wiley & Sons Ltd. ... Kuznetsov A.N. , Popovkin B.A. , Lindsjo M. , Stahl K., Kloo L. в журнале European Journal of Inorganic Chemistry , издательство John Wiley & Sons Ltd. ...

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• Vishnevskiy Y.V. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Journal of Molecular Spectroscopy - журнал | ИСТИНА - Интеллектуальная Система
• Hargittai I. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического

... 11:00-11:30 Break 11:30-12:00 Lecture 3 Prof . Heinz Oberhammer , Institute of Physical and Theoretical Chemistry , University of Tubingen, Germany Structures and Conformations of Disilacyclohexanes 12:00-12:30 Lecture 4 Prof . Ingvar Arnason , University of Iceland, Iceland Energetics and Potentional Energy Surfaces of Disilacyclohexanes 12:30-13:00 Lecture 5 Prof . Igor Godunov, Chemistry Department , MSU , ...

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... Algorithm & . Format requirements . ... SDPsite is a tool for identification of protein active and other functional sites, based on spatial clustering of SDPs (specificity-determining positions, described here ) with CPs (conserved positions). ... Mapping predictied positions onto structure and construction of the best cluster . ... The input data of the algorithm are a multiple protein alignment divided into specificity groups . ... is called statistical significance of the set of k* positions . ...

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• SDPsite
• RNA Kinetics main page

... Полная версия этой страницы: PhD position in molecular dynamics, nanoscience, USA . Студенческий форум Физфака МГУ > Физфак и учеба > Аспирантура . ... Applications are invited for PhD studies focused on theoretical and computational design and modeling of novel (hybrid) nanoscale systems, operated by . ... The candidates will learn how to use ab-initio electronic structure and quantum transport methods, molecular dynamics simulations, . ...

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• Студенческий форум Физфака МГУ > Theoretical PhD studies
• Студенческий форум Физфака МГУ > Theoretical PhD studies, PhD positions for

... Sponer, Jiri] Acad Sci Czech Republic, Inst Biophys, Brno 61265, Czech Republic. RP Reshetnikov, R (reprint author), Moscow MV Lomonosov State Univ, Dept Boiengn Bioinformat, GSP-1, Moscow 119991 , Russia EM r.reshetnikov@gmail.com FU Grant Agency of the Academy of Sciences of the Czech Republic [IAA400040802]; Grant Agency of the Czech Republic [203/09/1476]; Ministry of Education of the Czech Republic [LC06030]; Academy of Sciences of the Czech ...

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... We applied this approach to investigate mRNA secondary structures of the influenza virus. In a recent study, we investigated if mRNA structures can be associated with the coldadapted, temperature-sensitive (ca/ts) phenotype of the influenza A virus which has been used as live attenuated vaccines for decades (2). ... We identified those areas within an RNA chain where dissimilarities of RNA secondary structures at two different temperatures are particularly pronounced. ... RNA biology, 9:1266­1274. ...

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• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/41.pdf
• http://mccmb.belozersky.msu.ru/2015/proceedings/abstracts/142.pdf
• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/148.pdf

Databases (NSDC) of the Natural Planetary Satellites. ... NSDC: Database of astrometric observations of Natural Planetary Satellites . ... They are thoroughly looking for observations in different sources, creating their owndatabases which are then mostly inaccessible to other researchers. ... In the file "content" with explications, the reference is given to the data source as well as the bibliographic reference. ... Data sources. ... Why a specific bibliographic database for Natural satellites? ...

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... Moskovsky Alexander . ... Rogov Alexander . Modeling the reaction of hydrolysis of peptide bonds by trypsin by using quntum mechanical - molecular mechanical methods . ... Title: "Modeling Spectra of Molecular Clusters by Quantum Chemistry and Molecular Dynamics Methods" . ... Title: "Development of the Combined Quantum Mechanical - Molecular Mechanical Methods" . ... Title: "Modeling mechanisms of enzymatic hydrolysis reactions by the combined quantum mechanical - molecular mechanical methods" . ...

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• Laboratory of Chemical Cybernetics
• People

... Results . ... The main results of 2004 were the comparative analysis of genetic diversity of populations of saiga (Saiga tatarica). ... Molecular-genetic diversity and phylogeographic structure of moose population (Alces alces) in the different regions of European part of Russia and Ural were also studied. ... This testifies enough lengthy migrations of moose within the studied region and genetic unity of moose of Europe and Ural. ... Low genetic diversity of this species was determined. ...

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• Laboratories: Laboratory for Microevolution and Domestication of Mammals: Goals
• Povolzhskiy Journal of Ecology: Povolzhskiy Journal of Ecology: 2010, Issue 1
• Laboratories: Laboratory for Ecology of Lower Vertebrates: Goals and Tasks

... Experimental and theoretical study of structure and evolution of hadrons under extreme conditions at high energies . ... Physics of the solar wind, interplanetary magnetic field and solar-terrestrial relations . ... Neutron diffraction researches of nuclear and magnetic structure of new materials and its correlations with physical properties . ... Research of fractal structure of aluminosilicates gels by a method of small angle scattering of neutrons and synchrotrons radiations . ...

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• Key research directions
• Offered courses