By Benedict Leimkuhler,Christophe Chipot,Ron Elber,Aatto Laaksonen,Alan Mark,Tamar Schlick,Christoph Schütte,Robert Skeel
Molecular simulation is a regular device in biology, chemistry, physics and engineering. This e-book includes a number of articles through top researchers who're constructing new equipment for molecular modelling and simulation. issues addressed right here contain: multiscale formulations for biomolecular modelling, comparable to quantum-classical tools and complex solvation recommendations; protein folding equipment and schemes for sampling advanced landscapes; membrane simulations; unfastened power calculation; and methods for bettering ergodicity. The e-book is intended to be invaluable for practitioners within the simulation group and for these new to molecular simulation who require a vast advent to the cutting-edge.
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