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New Algorithms for Macromolecular Simulation by Benedict Leimkuhler

New Algorithms for Macromolecular Simulation

by Benedict Leimkuhler
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Book cover type: Paperback
  • ISBN13: 9783540255420
  • Binding: Paperback
  • Subject: N/A
  • Publisher: Springer
  • Publisher Imprint: Springer
  • Publication Date:
  • Pages: 367
  • Original Price: EUR 149.99
  • Language: English
  • Edition: 2006
  • Item Weight: 578 grams
  • BISAC Subject(s): Computer Science, Applied, and Physics / Mathematical & Computational

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.

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