New Algorithms for Macromolecular Simulation

New Algorithms for Macromolecular Simulation 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.New Algorithms for Macromolecular Simulation 1st Edition is written by Benedict Leimkuhler;?Christophe Chipot;?Ron Elber and published by Springer. ISBNs for New Algorithms for Macromolecular Simulation are 9783540316183, 3540316183 and the print ISBNs are 9783540255420, 3540255427.