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Titlebook: Computational Approaches to Biochemical Reactivity; Gábor Náray-Szabó,Arieh Warshel Book 2002 Springer Science+Business Media Dordrecht 20

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書(shū)目名稱(chēng)Computational Approaches to Biochemical Reactivity
編輯Gábor Náray-Szabó,Arieh Warshel
視頻videohttp://file.papertrans.cn/233/232107/232107.mp4
叢書(shū)名稱(chēng)Understanding Chemical Reactivity
圖書(shū)封面Titlebook: Computational Approaches to Biochemical Reactivity;  Gábor Náray-Szabó,Arieh Warshel Book 2002 Springer Science+Business Media Dordrecht 20
描述A quantitative description of the action of enzymes and other biological systems is both a challenge and a fundamental requirement for further progress in our und- standing of biochemical processes. This can help in practical design of new drugs and in the development of artificial enzymes as well as in fundamental understanding of the factors that control the activity of biological systems. Structural and biochemical st- ies have yielded major insights about the action of biological molecules and the mechanism of enzymatic reactions. However it is not entirely clear how to use this - portant information in a consistent and quantitative analysis of the factors that are - sponsible for rate acceleration in enzyme active sites. The problem is associated with the fact that reaction rates are determined by energetics (i. e. activation energies) and the available experimental methods by themselves cannot provide a correlation - tween structure and energy. Even mutations of specific active site residues, which are extremely useful, cannot tell us about the totality of the interaction between the active site and the substrate. In fact, short of inventing experiments that allow one to meas
出版日期Book 2002
關(guān)鍵詞biology; biophysics; catalysis; enzyme; enzymes; mechanics; protein; proteins; structural biology
版次1
doihttps://doi.org/10.1007/0-306-46934-0
isbn_softcover978-1-4020-0415-5
isbn_ebook978-0-306-46934-3
copyrightSpringer Science+Business Media Dordrecht 2002
The information of publication is updating

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Hybrid Potentials for Molecular Systems in the Condensed Phase,studies using such potentials, including work on solvation energies spectral shifts, reactions in solution and in enzymes. The reader is referred to the review by Gao for an extensive discussion [4]..Most studies to date have used semiempirical models as the QM portion of the potential. However, . Q
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Molecular Mechanics and Dynamics Simulations of Enzymes,th in research concerned with theoretical studies of proteins and enzymes (McCammon and Harvey 1987; Brooks, et al 1988; Warshel 1991). Most of the studies have used empirical energy functions. This chapter describes the nature of the empirical energy function, its use in molecular mechanics calcula
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Understanding Chemical Reactivityhttp://image.papertrans.cn/c/image/232107.jpg
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978-1-4020-0415-5Springer Science+Business Media Dordrecht 2002
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Introduction to the Theory of Forces,studies using such potentials, including work on solvation energies spectral shifts, reactions in solution and in enzymes. The reader is referred to the review by Gao for an extensive discussion [4]..Most studies to date have used semiempirical models as the QM portion of the potential. However, . Q
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Some Special Structural Systems,th in research concerned with theoretical studies of proteins and enzymes (McCammon and Harvey 1987; Brooks, et al 1988; Warshel 1991). Most of the studies have used empirical energy functions. This chapter describes the nature of the empirical energy function, its use in molecular mechanics calcula
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