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Titlebook: New Algorithms for Macromolecular Simulation; Benedict Leimkuhler,Christophe Chipot,Robert Skeel Book 2006 Springer-Verlag Berlin Heidelbe

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發(fā)表于 2025-3-21 17:28:46 | 只看該作者 |倒序瀏覽 |閱讀模式
書目名稱New Algorithms for Macromolecular Simulation
編輯Benedict Leimkuhler,Christophe Chipot,Robert Skeel
視頻videohttp://file.papertrans.cn/665/664769/664769.mp4
概述Includes supplementary material:
叢書名稱Lecture Notes in Computational Science and Engineering
圖書封面Titlebook: New Algorithms for Macromolecular Simulation;  Benedict Leimkuhler,Christophe Chipot,Robert Skeel Book 2006 Springer-Verlag Berlin Heidelbe
描述.Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques; protein folding methods and schemes for sampling complex landscapes; membrane simulations; free energy calculation; and techniques for improving ergodicity. The book is meant to be useful for practitioners in the simulation community and for those new to molecular simulation who require a broad introduction to the state of the art. .
出版日期Book 2006
關(guān)鍵詞Monte Carlo; Potential; algorithms; biology; biomolecular simulation; chemistry; enzymes; genome; macromolec
版次1
doihttps://doi.org/10.1007/3-540-31618-3
isbn_softcover978-3-540-25542-0
isbn_ebook978-3-540-31618-3Series ISSN 1439-7358 Series E-ISSN 2197-7100
issn_series 1439-7358
copyrightSpringer-Verlag Berlin Heidelberg 2006
The information of publication is updating

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called Extended Value Graph (EVG), shows the computationally equivalent structure among assignments before and after moving them on the control ow graph. We can get the final result directly by once application of this technique, because it can capture the second-order effects as the main effects, b
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Peter J. Bond,Jonathan Cuthbertson,Sundeep S. Deol,Lucy R. Forrest,Jennifer Johnston,George Patargiaanized insections on fixpoint computation, concurrency, parallelism,transformation, logic programs, term rewriting systems,strictness, reasoning about programs, and types.978-3-540-57264-0978-3-540-48027-3Series ISSN 0302-9743 Series E-ISSN 1611-3349
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Uri Laserson,Hin Hark Gan,Tamar Schlickve way) the multiple recursion parameters into a single recursion parameter..These two new classes of functions help to widen the applicability of the tupling tactic. In particular, they allow us to combine both the tupling and fusion tactics together to achieve new optimisations which were not poss
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David J. Wales,Joanne M. Carr,Tim JamesMX, RDX, and TATB. All of them are molecular materials or molecular ions that when initiated or insulted undergoes rapid decomposition with excessive liberation of heat resulting in the formation of stable final products. When the final products are gases, and they are rapidly produced, the sudden p
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Scott S. Hampton,Paul Brenner,Aaron Wenger,Santanu Chatterjee,Jesús A. Izaguirres to indicate that the pseudo equilibrium description of disordered systems may be applied also for further problems as for instance the localization phenomena..Although this method has been discovered. and rediscovered. to perform concrete calculations, it has been considered also for more general
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