... Molecular mechanics force field for boron-containing compounds based on CHARMM parameters and Gillespie-Kepert (GK) model is developed. ... The force field provides an accurate description of experimental X-ray stereochemistries in a wide range of organoboranes, organoborate complexes with polyhydroxy compounds, mixed oligomers of boric acid and borates. Molecular design of polydentate complexing agents: from topological analysis to molecular mechanics . ...

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• Publications of the Laboratory of Preconcentration
• Colloid-chemical phenomena in wastewater containing lignosulphonates

... Conformational Analysis of Boron-Containing Compounds Using Gillespie-Kepert Version of Molecular Mechanics . ... Abstract - Molecular mechanics force field for boron-containing compounds based on CHARMM parameters and Gillespie-Kepert (GK) model is developed. ... The force field provides an accurate description of experimental X-ray stereochemistries in a wide range of organoboranes, organoborate complexes with polyhydroxy compounds, mixed oligomers of boric acid and borates. ...

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• Study of amino- and pyridyl-containing zinc(II) and cadmium(II) complexes by

kspline . Kspline ist not a program but a library which provides spline functions. ... A spline class. ... Theoretical it can be used outside of KDE. A visual Editor. This editor requires an initialisized spline class and works as an interface to this spline. Nearly all spline functions can be adjusted with this editor. ... They can be modified either manually (directy calls to the spline functions) or visuell with the editor. ... SAL Home | Numerical Analysis | Misc . ...

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• SAL- Numerical Analysis - Misc - hfloat
• SAL- Numerical Analysis - Discrete Methods Related Tools - Rheolef
• SAL- Numerical Analysis - Misc - Colt

... Sinergetic has recommended itself in the most various areas: to physics, chemistry, biology, and even in public sciences. ... The purpose of research was the study of laws of heat transfer process in active environment, which is nonequilibrium and itself can give the contribution to change of temperature. ...

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news ]] . ... Highlight news: CompHEP is in the top rating list on The OpenScience Project . ... 16/03/2009 New official version of CompHEP (4.5.1) is available. ... 14/11/2006 Two new versions of CompHEP-PYTHIA interface (cpyth-1.2.7 and cpyth-2.0.4) are available. ... 13/09/2006 A new version of CompHEP-PYTHIA interface and a new interface CompHEP-HERWIG has been released. ... 01/07/2006 Talk on new physics with CompHEP by M.Dubinin at Tools for SUSY and the New Physics (LAPP, 26-28 June 2006). ...

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• extra:main [CompHEP]

... Efficient numerical methods for the analysis of electromagnetic fields" . Knyazkov D.Yu. ... The performance and scalability analysis carried out for some numerical methods on MVS-100K JSCC RAS and MIIT T4700 clusters showed that these methods cannot be used when creating a real-size chip on the state-of-the-art HPC systems. ... This method allows calculating the Gabor hologram for the real-size chip topology on the existing clusters. ... PostScript (in Russian) (12.1MB) . ...

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• "A numerical algorithm and a computer system for the analysis of rheological

... Laboratory of Mathematical Methods of Image Processing . ... Image analysis . ... Ringing effect . ... It can be efficiently used as a post-processing method for global image deblurring methods . ... Development of edge width estimation algorithm is important for image enhancement and image quality analysis methods. ... Ringing effect so known as Gibbs phenomenon in mathematical methods of image processing is the annoying effect in images and video appeared as rippling artifact near sharp edges. ...

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Context analysis of SNP containing sites in mammalian genomes Nataly S. Safronova Novosibirsk State University, Novosibirsk, Russia, taschasafronova@mail.ru Irina Abnizova Welcome Trust Sanger ... Cytology and Genetics, Novosibirsk, Russia {bob,brukaro,orlov}@bionet.nsc.ru Due to technological breakthrough in the next-generation sequencing (NGS) technologies volume of available genomic ... Association of SNP position in human genome with mononucleotide repeats was shown earlier. ...

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• http://mccmb.belozersky.msu.ru/2015/proceedings/abstracts/35.pdf
• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/19.pdf
• http://mccmb.belozersky.msu.ru/2015/proceedings/abstracts/14.pdf

... For those who is interested in thermodynamic modeling . Yuri Shvarov . This page is aimed mainly at the users of the software package HCh for thermodynamic (equilibrium) modeling of (geo)chemical systems and processes. However, some files presented here may also be of some interest to those who do not use HCh. ... HCh for DOS . ... User's guide for the Unitherm program intended for maintaining thermodynamic databases and calculation of thermodynamic properties of substances . ...

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Just a little program for analysis of different alignments . ... Several words about COGs . ... COGs (Clusters of Orthologous Genomes) is a big database, which consists of thousands of alignments. Every alignment contains from 2 to almost infinite quantity sequences. ... It's very diffucult to look through big alignments, such as, for example, COG0495 (even though it is almost empty) - they contain too much lines. ... New sequences are discovered, new alignments are made and added into COGs. ...

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• About this project
• PDB entries containing domains of the family "RNA polymerase beta subunit"
• Inquiry information || Distances

Please enter the lightcurve file name and period search parameters: . Lightcurve file: . ... Apply the Heliocentric correction and convert all dates to Terrestrial Time (TT)? ... Also, the Heliocentric correction cannot be applied to such lightcurves. ... This period search service is also available at the mirror sites: Mirror 1 , Mirror 2 , Mirror 3 , Mirror 4 . You may download the latest source code distribution and install the period search service at your own web server. ...

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Электронная библиотека Попечительского совета . ... Faithfull N.T. - Methods in Agricultural Chemical Analysis . ... Название: Methods in Agricultural Chemical Analysis . Автор: Faithfull N.T. Аннотация: . This reference manual contains information on the most suitable procedures for the analysis of agricultural materials. ... Most methods use standard equipment and instruments commonly found in the practical lab. ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Поиск книг, содержащих CONTAINS :: Электронная библиотека попечительского
• Klenin V.J. - Thermodynamics of Systems Containing Flexible-Chain Polymers ::
• Mordukhovich B.S. - Variational Analysis and Generalized Differentiation I ::

Ultraviolet data (DUV) . ... The section "Original data" contains original information in analogue-digital and digital- analogue codes. The section "Data for analysis" contains pre-processed data for further analysis. Tatiana" program can be used for graph presentation of the experimental data, and "Orbitron" program - for geographical control of the data. Manual on how to use the programs and the data is in the HELP-file. ... Original data . Data for analysis . Tatiana program . ...

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The files containing information about Affymetrix microarrays were downloaded from the official Affymetrix site. ... Probe sequences were mapped to the genome using Blat. ... The hits found "probe alignment regions" were . ... We annotated each probe alignment region using the mRNA and EST alignments provided by UCSC, considering only . ... The textual part of the interface consists of probe information section, probe alignment section and transcription state . ... Each gene and each probe alignment . ...

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• PDB entries containing domains of the family "RNA dependent RNA polymerase"
• PDB entries containing domains of the family "Ribbon-helix-helix protein, copG
• S : rm_systems

... 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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• SDPlight
• SDPpred

We shall use an alias name WORK for the directory which has been created by the user during the CompHEP installation. It contains the following sub-directories and files: . models/ results/ tmp/ . ... The models directory contains files which describe physical models. ... The directory tmp is used for temporary files. The file tmp/safe keeps user settings between the sessions. ... A bug presenting in this file could be a reason for a fatal error in the beginning of the CompHEP session. ...

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• Process of two particle decay
• Adaptive Monte Carlo integration package Vegas
• Simbolic output in MATHEMATICA format

... 9 container is iterable collection of items. 10 item is object getting markup data (new attribute). 11 . ... 32 def __init__ ( self , name , container , map_out = {}): . ... 40 def set_map_out ( self , map_out ): . ... 44 def set_map_in ( self , map_in ): . ... 54 def __getitem__ ( self , item ): . ... 65 def __contains__ ( self , item ): . ... 88 def from_string ( cls , string , name , container , map_out = {}): . ... 94 self = cls ( name , container , map_out ) . ... 103 def items ( self ): . ...

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• allpy: ee2c10aa74b8 allpy/markup.py
• allpy: a1be82967e81 allpy/markup.py
• allpy: 80043822a41e allpy/markup.py

This diagram shows how the 'vertical-align' properties on cells combine to determine the height of the row containing the cells. The diagram also illustrates the meaning of some values of 'vertical-align' that apply to table cells: baseline, top, bottom, and middle. The diagram shows a row of five (labeled) table cells of varying heights and alignments. ... The first cell is aligned with the row baseline and extends to just below the row top. ...

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• Dynamic HTML in Communicator
• Long description of float and text flow example
• RELATED WORK

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... Supercomputing Technologies in Science, Education and Industry Almanac Series . ... Technological Institute for Superhard and Novel Carbon Materials . ... Therefore, in solving the problems will be applied as specialized methods for the study of polyatomic structures - the method of empirical potentials Brenner . ... AREA: Condensed Matter Physics, Theoretical Physics, Physical Chemistry . ... Moscow State Uiversity . ... Research Computing Center (RCC) of Lomonosov Moscow State University . ...

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• APPLICATIONS: Informatics | Moscow University Supercomputing Center
• TOWARDS PETAFLOPS | Moscow University Supercomputing Center