Atom subtypes present in protein structures: introducing dynamic atom similarity measure. ... St.Petersburg, 199034, Russia, gm2124@mail.ru Keywords: Atom subtypes, covalent bond lengths, protein structure. ... The cause of this issue is purely combinatorial, because if we treat each of the 20 aminoacids' heavy atoms as being of its own subtype, that leaves us with 167 different atom types, which in turn gives thousands of parameters to estimate even in a simple case of two atom interactions. ...

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... The purpose of this extension is to allow overloading of object property access and method calls. Only one function is defined in this extension, overload() which takes the name of the class that should have this functionality enabled. The class named has to define appropriate methods if it wants to have this functionality: __get() , __set() and __call() respectively for getting/setting a property, or calling a method. ... overload -- Enable property and method call overloading for a class . ...

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VIII Mendeleev Congress on General and Applied Chemistry, Moscow, 2007 2521 USING DIRECT MODIFICATION FOR SYNTHESIS OF HUMIC DERIVATIVES WITH COMPETENT ELECTRODE POTENTIAL Kovalenko A.N., Bolkova A.N., Perminova I.V. Department of Chemistry, Lomonosov Moscow State University, Moscow, Russia Chemical modification is a promising tool for preparing humic materials of the desired properties. ... Reaction of oxidative polymerization of quinones initiated by Fenton reagent was used for modification. ...

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... Laboratory of Medicinal Chemistry was established at the Department of Chemistry, Lomonosov Moscow State University in October 2013. ... We apply modern molecular modeling and chemoinformatics methods as well as develop new approaches. ... We have developed efficient methods for the analysis of quantitative structure-activity relationships and design of novel promising structures based on diverse theoretical approaches. ... Home . ... Research . ... 2016 Laboratory of Medicinal Chemistry ...

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Title Author Review of the monograph of V.I . Dobren'kov and N.R. Ispravnikova Pyramids of missed opportunities (the Russian version of crony capitalism ) Verkhovin V.I . Russian privatization, the transition period in the economy , the legitimation of private property in Russia, an alliance of state power and elected oligarchic groups, crony capitalism , the network structure of Russian big ...

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... 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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... Andrey Lagarkov, Igor Budashov, Vladimir Chistyaev, Alexander Ezhov, Andrey Fedyanin, Andrey Ivanov, Ilya Kurochkin, Sergey Kosolobov, Alexander Latyshev, Dmitriy Nasimov, Ilya Ryzhikov, Maxim Shcherbakov, Aleksandr Vaskin, Andrey K. Sarychev . ... OPTICS EXPRESS . ... Ultrafast dynamics of third harmonic generation in fishnet metamaterials" . ... Nonlinear absorption in plasmonic metamaterials" . ... Static and dynamic properties of third harmonic generation in fishnet metamaterials" . ...

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