军械
发表于 2025-3-21 17:30:24
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guardianship
发表于 2025-3-21 23:08:55
Numerical Simulation in Molecular Dynamics978-3-540-68095-6Series ISSN 1611-0994 Series E-ISSN 2197-179X
遗弃
发表于 2025-3-22 01:18:53
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confide
发表于 2025-3-22 08:24:24
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A保存的
发表于 2025-3-22 09:30:04
Michael Griebel,Gerhard Zumbusch,Stephan KnapekOne of the first textbooks in the highly-relevant topic (material science, molecular modelling, drug design, nanotechnology).Includes supplementary material:
BIBLE
发表于 2025-3-22 15:59:48
,From the Schrödinger Equation to Molecular Dynamics,n why it makes sense to apply the laws of classical mechanics, even though one should use the laws of quantum mechanics. Readers that are more interested in the algorithmic details or in the implementation of algorithms in molecular dynamics can skip this chapter.
阻塞
发表于 2025-3-22 19:55:15
The Linked Cell Method for Short-Range Potentials,losest neighbors of each particle are considered. Note that the algorithm presented here also forms the basis for the methods discussed in the subsequent Chapters 7 and 8 for problems with long-range interactions.
把…比做
发表于 2025-3-22 23:15:11
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prosperity
发表于 2025-3-23 03:52:48
Prospects,ve presented many specific applications of the molecular dynamics method from material sciences, biophysics, and astrophysics. Furthermore, we have given hints and details that will allow readers to implement the presented methods and algorithms on their own.
免除责任
发表于 2025-3-23 07:03:38
Applications from Biochemistry and Biophysics,this book. Applications include the general dynamics of proteins and their conformations, the formation of membrane structures, the determination of inhibitor-ligand binding energies, and the study of the folding and unfolding of peptides, proteins, and nucleic acids.