Computational Methods for Macromolecules: Challenges and Applications : Proceedings of the 3rd International Workshop on Algorithms for Macromolecular Modeling, New York, October 12–14, 2000 / edited by Tamar Schlick, Hin Hark Gan
(Lecture Notes in Computational Science and Engineering ; 24)
| データ種別 | 電子ブック |
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| 出版者 | Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer |
| 出版年 | 2002 |
| 本文言語 | 英語 |
| 大きさ | IX, 504 p. 4 illus. in color : online resource |
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| 内容注記 | Methods for Macromolecular Modeling (M3): Assessment of Progress and Future Perspectives I Biomolecular Dynamics Applications Mathematics and Molecular Neurobiology Structural and Dynamical Characterization of Nuclei Acid Water and Ion Binding Sites II Molecular Dynamics Methods A Test Set for Molecular Dynamics Algorithms Internal Coordinate Molecular Dynamics Based on the Spectroscopic B-Matrix The Sigma MD Program and a Generic Interface Applicable to Multi-Functional Programs with Complex, Hierarchical Command Structure Overcoming Instabilities in Verlet-I/r-RESPA with the Mollified Impulse Method III Monte Carlo Methods On the Potential of Monte Carlo Methods for Simulating Macromolecular Assemblies Structure Calculation of Protein Segments Connecting Domains with Defined Secondary Structure: A Simulated Annealing Monte Carlo Combined with Biased Scaled Collective Variables Technique IV Other Conformational Sampling Methods Hierarchical Uncoupling-Coupling of Metastable Conformations Automatic Identification of Metastable Conformations via Self-Organized Neural Networks V Free Energy Methods Equilibrium and Non-Equilibrium Foundations of Free Energy Computational Methods Free-Energy Calculations in Protein Folding by Generahzed-Ensemble Algorithms Ab Initio QM/MM and Free Energy Calculations of Enzyme Reactions VI Long Range Interactions and Fast Electrostatics Methods Treecode Algorithms for Computing Nonbonded Particle Interactions A New Reciprocal Space Based Method for Treating Long Range Interactions in Ab Initio and Force-Field Based Calculations for Surfaces, Wires, and Clusters Efficient Computational Algorithms for Fast Electrostatics and Molecular Docking VII Statistical Approaches to Protein Structures Fold Recognition Using the OPLS All-Atom Potential and the Surface Generalized Born Solvent Model Identification of Sequence-Specific Tertiary Packing Motifs in Protein Structures using Delaunay Tessellation Appendix: Color Plates |
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| 著者標目 | Schlick, Tamar editor Gan, Hin Hark editor SpringerLink (Online service) |
| 件 名 | LCSH:Mathematics LCSH:Computer simulation LCSH:Biochemistry LCSH:Bioinformatics LCSH:Computational biology LCSH:Computer mathematics LCSH:Mathematical models LCSH:Physics FREE:Mathematics FREE:Mathematical Modeling and Industrial Mathematics FREE:Biochemistry, general FREE:Simulation and Modeling FREE:Computer Appl. in Life Sciences FREE:Computational Mathematics and Numerical Analysis FREE:Theoretical, Mathematical and Computational Physics |
| 分 類 | DC23:003.3 |
| 巻冊次 | ISBN:9783642560804 
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| ISBN | 9783642560804 |
| URL | http://dx.doi.org/10.1007/978-3-642-56080-4 |
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