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New Algorithms for Macromolecular Simulation
Paperback
Series: Lecture Notes in Computational Science and Engineering, Book 49
General ComputersGeneral MathematicsPhysics
ISBN13: 9783540255420
Publisher: Springer
Published: Dec 20 2005
Pages: 367
Weight: 1.18
Height: 0.79 Width: 6.14 Depth: 9.21
Language: English
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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