New Algorithms for Macromolecular Simulation

  • By Benedict Leimkuhler, Christophe Chipot, Ron Elber
  • Pages 367
  • Year 2008
  • Publisher Springer
  • Language en
  • ISBN 9783540255420
  • File Size 4.11 MB
  • File Format PDF
  • Download Counter 7
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Ebook Description

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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