New Algorithms for Macromolecular Simulation

Released on by Benedict Leimkuhler
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  • New Algorithms for Macromolecular Simulation Book Detail

  • Author : Benedict Leimkuhler
  • Release Date : 2006-03-22
  • Publisher : Springer Science & Business Media
  • Genre : Computers
  • Pages : 364
  • ISBN 13 : 3540316183
  • File Size : 53,53 MB
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New Algorithms for Macromolecular Simulation by Benedict Leimkuhler PDF Summary

Book 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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Understanding Molecular Simulation

Understanding Molecular Simulation

File Size : 83,83 MB
Total View : 5250 Views
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Understanding Molecular Simulation explains molecular simulation from a chemical-physics and statistical-mechanics perspective. It highlights how physical conce