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New Algorithms for Macromolecular Simulation - Benedict Leimkuhler
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Benedict Leimkuhler:

New Algorithms for Macromolecular Simulation - Paperback

2005, ISBN: 3540255427

[EAN: 9783540255420], Neubuch, [SC: 0.0], [PU: Springer Berlin Heidelberg], MAKROMOLEKÜL; MOLEKÜL / MONTECARLO; POTENTIAL; BIOLOGY; BIOMOLECULARCHEMISTRY; ENZYMES; GENOME; MACROMOLECULARM… More...

NEW BOOK. Shipping costs:Versandkostenfrei. (EUR 0.00) AHA-BUCH GmbH, Einbeck, Germany [51283250] [Rating: 5 (von 5)]
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Benedict Leimkuhler (Editor), Christophe Chipot (Editor), Ron Elber (Editor), Aatto Laaksonen (Editor), Alan Mark (Editor), Tamar Schlick (Editor), Christoph Schütte (Editor), Robert Skeel (Editor):

New Algorithms for Macromolecular Simulation (Lecture Notes in Computational Science and Engineering) - Paperback

2006, ISBN: 9783540255420

Springer, 2006-02-10. 2006. Paperback. Used:Good., Springer, 2006-02-10, 0

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Benedict Leimkuhler (Editor), Christophe Chipot (Editor), Ron Elber (Editor), Aatto Laaksonen (Editor), Alan Mark (Editor), Tamar Schlick (Editor), Christoph Schütte (Editor), Robert Skeel (Editor):
New Algorithms for Macromolecular Simulation (Lecture Notes in Computational Science and Engineering) - Paperback

2006

ISBN: 3540255427

[EAN: 9783540255420], Neubuch, [PU: Springer], Books

NEW BOOK. Shipping costs: EUR 10.96 Ergodebooks, Houston, TX, U.S.A. [8304062] [Rating: 5 (von 5)]
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Editor-Benedict Leimkuhler; Editor-Christophe Chipot; Editor-Ron Elber; Editor-Aatto Laaksonen; Editor-Alan Mark; Editor-Tamar Schlick; Editor-Christoph Schütte; Editor-Robert Skeel:
New Algorithms for Macromolecular Simulation (Lecture Notes in Computational Science and Engineering) - Paperback

2006, ISBN: 3540255427

[EAN: 9783540255420], [PU: Springer], Books

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New Algorithms for Macromolecular Simulation - Benedict Leimkuhler; Christophe Chipot; Ron Elber; Aatto Laaksonen; Alan Mark; Tamar Schlick; Christoph Schütte; Robert Skeel
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Benedict Leimkuhler; Christophe Chipot; Ron Elber; Aatto Laaksonen; Alan Mark; Tamar Schlick; Christoph Schütte; Robert Skeel:
New Algorithms for Macromolecular Simulation - Paperback

2005, ISBN: 9783540255420

Buch, Softcover, 2006, [PU: Springer Berlin], Springer Berlin, 2005

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Details of the book
New Algorithms for Macromolecular Simulation
Author:
Title:
ISBN:

3540255427


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.

Details of the book - New Algorithms for Macromolecular Simulation


EAN (ISBN-13): 9783540255420
ISBN (ISBN-10): 3540255427
Paperback
Publishing year: 2005
Publisher: Springer Berlin
367 Pages
Weight: 0,649 kg
Language: eng/Englisch

Book in our database since 2007-06-20T13:23:02-04:00 (New York)
Detail page last modified on 2023-01-23T13:52:33-05:00 (New York)
ISBN/EAN: 3540255427

ISBN - alternate spelling:
3-540-25542-7, 978-3-540-25542-0
Alternate spelling and related search-keywords:
Book author: christoph schutte, schlick, skeel, robert schutte, laaksonen, leimkuhl, elbe, schütte, laak, laakso, benedict, christoph sch, christoph ktz, christophe, robert mark, tamar
Book title: algorithms, simulation, macromolecular engineering, notes

Information from Publisher

Author: Benedict Leimkuhler; Christophe Chipot; Ron Elber; Aatto Laaksonen; Alan Mark; Tamar Schlick; Christoph Schütte; Robert Skeel
Title: Lecture Notes in Computational Science and Engineering; New Algorithms for Macromolecular Simulation
Publisher: Springer; Springer Berlin
367 Pages
Publishing year: 2005-12-20
Berlin; Heidelberg; DE
Language: English
160,49 € (DE)
164,99 € (AT)
177,00 CHF (CH)
Available
XVI, 367 p. 85 illus., 8 illus. in color.

BC; Hardcover, Softcover / Informatik, EDV/Anwendungs-Software; Computermodellierung und -simulation; Verstehen; Monte Carlo; Potential; algorithms; biology; biomolecular simulation; chemistry; enzymes; genome; macromolecular modeling; modeling; molecular modelling; protein; protein folding; simulation; Computer Modelling; Mathematical and Computational Biology; Theoretical, Mathematical and Computational Physics; Biomedical Engineering and Bioengineering; DV-gestützte Biologie/Bioinformatik; Mathematische Physik; Biomedizinische Technik; EA

Macromolecular Models: From Theories to Effective Algorithms.- Membrane Protein Simulations: Modelling a Complex Environment.- Modeling and Simulation Based Approaches for Investigating Allosteric Regulation in Enzymes.- Exploring the Connection Between Synthetic and Natural RNAs in Genomes: A Novel Computational Approach.- Learning to Align Sequences: A Maximum-Margin Approach.- Minimization of Complex Molecular Landscapes.- Overcoming Energetic and Time Scale Barriers Using the Potential Energy Surface.- The Protein Folding Problem.- Dynamical and Stochastic-Dynamical Foundations for Macromolecular Modelling.- Biomolecular Sampling: Algorithms, Test Molecules, and Metrics.- Approach to Thermal Equilibrium in Biomolecular Simulation.- The Targeted Shadowing Hybrid Monte Carlo (TSHMC) Method.- The Langevin Equation for Generalized Coordinates.- Metastability and Dominant Eigenvalues of Transfer Operators.- Computation of the Free Energy.- Free Energy Calculations in Biological Systems. How Useful Are They in Practice?.- Numerical Methods for Calculating the Potential of Mean Force.- Replica-Exchange-Based Free-Energy Methods.- Fast Electrostatics and Enhanced Solvation Models.- Implicit Solvent Electrostatics in Biomolecular Simulation.- New Distributed Multipole Metdhods for Accurate Electrostatics in Large-Scale Biomolecular Simulations.- Quantum-Chemical Models for Macromolecular Simulation.- Towards Fast and Reliable Quantum Chemical Modelling of Macromolecules.- Quantum Chemistry Simulations of Glycopeptide Antibiotics.- Panel Discussion.
Includes supplementary material: sn.pub/extras
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