ABSTRACT
Recent advances in biomolecular modeling have emphasized the
importance of inclusion of explicit electronic polarizabilty, and
a description of electrostatic interactions that includes atomic
multipoles; however, these additional levels of treatment necessarily
increase a model’s computational cost. Ultimately, the decision as to
whether inclusion of these more rigorous levels are justified rests
on the degree to which they impact the specific application areas
of interest, balanced with the overhead of their computational cost.
The purpose of this book is to stimulate the exchange of effective
strategies used to describe many-body effects and electrostatics
across the quantum, classical, and coarse-grainedmodeling regimes.
