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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