... 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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... The factors that play the key role in complex formation are as follows: the rate of protein diffusion to the docking site; long-range electrostatic interactions between protein surfaces, geometric and chemical complementarity of binding areas; molecular mobility at the proteinґprotein interphase, hydrogen bonds, Van der Waals interactions, hydrophobic interactions, and salt bridges. ... Three-dimensional protein molecules are constructed on the basis of data extracted from the Protein Data Bank. ...

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• МОДЕЛИРОВАНИЕ ВЗАИМОДЕЙСТВИЯ МАГНИТНОГО ПОЛЯ С ОБЪЕМНЫМИ ВЯЗАНЫМИ СТРУКТУРАМИ

... Potts-glass models of neural networks. ... FIXED POINTS OF PNN [pic] For any [pic], the only fixed points of a network constructed with the aid of two patterns [pic] and [pic] are these patterns themselves (and their negatives [pic]). [pic] Let us examine a case, when q = 2 and the vectors [pic] are without the signs [pic] (the signals are without the phase failure): [pic] As the neurons possess only one of the two values [pic] or [pic], formally this case is alike the Hopfield model. ...

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... Article history: Received 23 September 2011 Received in revised form 16 January 2012 Accepted 19 January 2012 Available online 25 January 2012 Communicated by P.R. Holland Keywords: Quantum causality Entanglement Decoherence Quantum information 1. ... The different types of decoherence have the different impacts on causality: the subsystem under dissipation becomes an effect (information sink), the subsystem under depolarization becomes a cause (information source). ...

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• S.M.KOROTAEV. EXPERIMENTAL VERIFICATION OF TRANSACTION OF THE DISSIPATIVE

О лаборатории . ... Лаборатория теоретической биофизики . ... OPLS-AA topology generation is a very complex task because of huge amount of the atomtypes described this force field. ... We use OPLS-AA with some includings; ?includings? are overlays on the standart GROMACS forcefield files. ... All-atom automatic OPLS-AA topology generator . ... comcon1 in All-atom automatic OPLS-AA topology? . ... OPLS-AA? in All-atom automatic OPLS-AA topology? ... 2011 ERG Research Group . ...

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• Visual approach to construction of &QMMM section of CP2K input file ERG
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Geometrical core (core) is a maximal set of alignment positions such that C atoms in these positions are disposed similarly in ALL input protein chains. ... Minimal core size (#aa's) . ... Alternative core new atoms (%) . ... Geometrical core is a maximal set of alignment positions such that C atoms in these positions are disposed similarly in ALL input protein chain. ... Each input sequences is aligned to the corresponding sequence obtained from the ATOM section of the protein chain in the PDB file. ...

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Messier 9 Close Up . ... Credit Copyright: ESA/Hubble , NASA Explanation: Renown 18th century astronomer Charles Messier described this 9th entry in his famous astronomical catalog as "Nebula, without star, in the right leg of Ophiuchus .. But Messier 9 (M9) does have stars, known to modern astronomers as a globular cluster of over 300,000 stars within a diameter of about 90 light-years. It lies some 25,000 light-years distant , near the central bulge of our Milky Way galaxy. ...

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• Messier 9 Close Up
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JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS VOLUME 89, NUMBER 4 OCTOBER 1999 Photoinduced chirality of hydrogen peroxide molecules B. A. Grishanin*) and V. N. Zadkov Institute of Physics and International Laser Center, M. V. Lomonosov Moscow State University, 119899 Moscow, Russia Submitted 20 April 1999 Є Zh. ... Let us examine qualitatively what happens when a chiral H2O2 molecule interacts with an electromagnetic field. ... THEORETICAL MODEL FOR PHOTOINDUCED CHIRALITY OF H2 O2 MOLECULES 2.1. ...

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... The operators will be explained as they are used. The general notion to keep in mind is that any combination of these operators results in a 2- D affine coordinate transformation in the TF plane, which may be represented using the homogeneous coordinates often used in computer graphicsfoley. ... S _t_c,f_c = g_t_c,f_c,(_t) | ... We denote a time shift to the position , with an operator that has a multiplicative law of composition : (Table 1). ... Note that these two operators do not commute. ...

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• Index of /ftproot/pub/comp/os/os2/leo/updates/describe
• Remarks on the Network Configuration
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The Octotron Approach: Towards Autonomous and Reliable Operation of Supercomputers Alexander Antonov, Dmitry Nikitenko, Pavel Shvets, Sergey Sobolev, Konstantin Stefanov, Vadim Voevodin, Vladimir Voevodin, Sergey Zhumatiy Research Computing Center, Lomonosov Moscow State University, Moscow, Russia {asa,dan,shpavel,sergeys,cstef,vadim,voevodin,serg}@parallel.ru 1 Introduction ... 2 The Octotron System: Model-based Approach Octotron represents the supercomputer model in the form of a graph (Fig. ...

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• APPLICATIONS: Mathematics | Moscow University Supercomputing Center

... Поступление в лабораторию . ... Электронный журнал "Компьютерная графика и мультимедиа" . ... The shape of the object is called "generalized box" and describes objects with hexahedron shape, which edges are polylines or curves and faces are curved surfaces. ... The whole modeling framework consists of three steps: camera calibration, 3D modeling with user sketches, and texturing. ... Yakubenko A, Konushin A, Vezhnevets V. Image-based 3D Reconstruction of Generalized Box with User Sketches . ...

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Advancing fusion gene detection from RNA-seq data Konstantin Okonechnikov, Thomas F. Meyer, Fernando GarcМa-Alcalde Max Planck Institute For Infection Biology, Berlin, Germany okonechnikov@mpiib-berlin.mpg.de Gene fusion events and other types of chromosomal translocations are known to be related to several types of cancers and can be interpreted as hallmarks for the corresponding development stage of the disease. ... Our proposal combines both techniques to find initial list of fusion candidates. ...

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• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/23.pdf
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... Issues of the year 2010 . Issues of the year 2011 . ... P.P.?Shirshov Oceanology Institute, Russian Academy of Sciences, and Hydrometeorological Research Center of Russia, Moscow, Russia . Phone: +7-495-687-5352 . ... Senior scientist, Faculty of Geography, M.V.Lomonosov Moscow State University, Moscow, Russia, Leninskie gory, 1, 1199911 . ... AEROSOL PROPERTIES IN MOSCOW ACCORDING TO 10 YEARS OF AERONET MEASUREMENTS AT THE METEOROLOGICAL OBSERVATORY OF MOSCOW STATE UNIVERSITY Abstract: . ...

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• CONTENT 2?(4)?2011
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... For example, one can consider Gauge theories Extra conditions Ї there are no sources which are external to the system described by the presented action Ї solutions to equations of motion are periodic in time with a period T up to a coordinate shift and a spatial rotation, i.e. for all fields on the solution the relation must hold for any t One can always pass to a suitable coordinate system in which One can use the effective ... Math. ... B 68 (1977) 466; S.R. Coleman, Commun. ...

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• http://qfthep.sinp.msu.ru/talks/agalarov_qfthep2010.pdf

Russian TeX Disk . ... Please, use "Save link as" (right mouse button) for downloading files, otherwise binary files will be corrupted. What is russian TeX disk . ... Some TeX versions and tools are installed/russified and can be started directly from CD; other are only distributives plus additional files for their russification. ... FPTEX . ... Directory russian.add: Generic files (mf-sources, pfb-fonts and hyphen file) for russification of any-TeX-realizations in: . ... file readme: . ...

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... Geometry optimization can be performed with analytical gradients at the HF, MP2, CI, DFT, TDHF, and TDDFT levels. ... The table below summarizes the current main capabilities of Firefly : Wavefunction RHF UHF ROHF GVB MCSCF Semiempirical SCF dm dm dm dm - SCF energy cdp cdp cdp cdp cdp SCF gradient cdp cdp cdp cdp cdp SCF Analytical Hessian cdp * - cdp * cdp * - DFT energy cdp cdp cdp - - DFT gradient cdp cdp ...

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• PC GAMESS/Firefly DOCUMENTATION - list of supported Linux MPI implementations
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... Scientific Laboratories . ... Main Science and education Scientific Laboratories Laboratory of solid-state lasers and coherent spectroscopy . ... The first experiments in the laboratory of solid-state lasers and coherent spectroscopy were done in 1974-1975 years. ... In 1980, the laboratory began more complex experiments on the base of picosecond lasers, namely experiments realizing nonstationary picosecond CARS of molecular gases (CARS-coherent antiStokes Raman scattering). ...

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• Лекция детально

... 7, 10253, 2005 SRef-ID: 1607-7962/gra/EGU05-A-10253 ? European Geosciences Union 2005 Enhanced detoxifying ability of the specifically oxidized humic derivatives with respect to copper V.A. Kholodov (1), N.A. Kulikova (1), G.F. Lebedeva (1), A.N. Kovalenko (2) and I.V. Perminova (2) (1) Department of Soil Science ... Experimental Section Humic materials used; methods of their oxidation and characterization. ... Toxicity of copper was estimated using seedling technique. ...

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• http://www.mgumus.chem.msu.ru/publication/2007/perminova-preparation-2007.pdf

... 3, March, 1997 609 .. ... 6, 816 [Chem. ... J. Chem_, 1967, 20, 2715. ... Received Janua~ 9, 1997 Unexpected reaction of 6-nitroindolizine with dimethyl acetylenedicarboxylate A. L Zinin and E, V. Babaev* M. F~ Lomonosov Moscow State University, Chemist~ Department, 119899 Moscow, l:orob'evy Go~'. ... E-mail: eugene@babaev.chem.msu.su It is known that indolizines readily enter into the socalled [8+2l-cycloaddition reactions allowed by orbital symmet~' rules 1-4 to form cycl[3.2.2]azine derivatives. ...

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• http://www.chem.msu.ru/eng/misc/babaev/papers/051e.pdf
• http://www.chem.msu.ru/eng/misc/babaev/papers/114e.pdf
• http://www.chem.msu.ru/eng/misc/babaev/papers/006e.pdf

... 2011/12/09 . ... added alignment merging . added parameter corresponding to the width of output alignment . fixed homologue searching for very long query sequences . ... Copyright 2010-2011 Yury Pekov ...

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• StructAlign help