Download E-books New Algorithms for Macromolecular Simulation PDF

By Peter J. Bond, Jonathan Cuthbertson, Sundeep S. Deol, Lucy R. Forrest (auth.), Benedict Leimkuhler, Christophe Chipot, Ron Elber

Molecular simulation is a popular software in biology, chemistry, physics and engineering. This booklet incorporates a selection of articles by way of best researchers who're constructing new equipment for molecular modelling and simulation. subject matters addressed the following contain: multiscale formulations for biomolecular modelling, resembling quantum-classical tools and complex solvation ideas; protein folding tools and schemes for sampling complicated landscapes; membrane simulations; loose power calculation; and methods for bettering ergodicity. The ebook is intended to be helpful for practitioners within the simulation group and for these new to molecular simulation who require a huge creation to the state-of-the-art.

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