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MARC 21

Computational Methods for Macromolecules: Challenges and Applications: Proceedings of the 3rd International Workshop on Algorithms for Macromolecular Modeling, New York, October 12–14, 2000 /
Tag	Description
020	$a9783642560804$9978-3-642-56080-4
082	$a003.3$223
099	$aOnline resource: Springer
245	$aComputational Methods for Macromolecules: Challenges and Applications$h[EBook] :$bProceedings of the 3rd International Workshop on Algorithms for Macromolecular Modeling, New York, October 12–14, 2000 /$cedited by Tamar Schlick, Hin Hark Gan.
260	$aBerlin, Heidelberg :$bSpringer Berlin Heidelberg :$bImprint: Springer,$c2002.
300	$aIX, 504 p. 4 illus. in color.$bonline resource.
336	$atext$btxt$2rdacontent
337	$acomputer$bc$2rdamedia
338	$aonline resource$bcr$2rdacarrier
440	$aLecture Notes in Computational Science and Engineering,$x1439-7358 ;$v24
505	$aMethods 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.
538	$aOnline access to this digital book is restricted to subscription institutions through IP address (only for SISSA internal users)
700	$aSchlick, Tamar.$eeditor.
700	$aGan, Hin Hark.$eeditor.
710	$aSpringerLink (Online service)
830	$aLecture Notes in Computational Science and Engineering,$x1439-7358 ;$v24
856	$uhttp://dx.doi.org/10.1007/978-3-642-56080-4