Chemical Theory and Multiscale Simulation in Biomolecules: From
Principles to Case Studies helps readers understand what simulation is,
what information modeling of biomolecules can provide, and how to
compare this information with experiments. Beginning with an
introduction to computational theory for modeling, the book goes on to
describe how to control the conditions of modeling systems and
possible strategies for time-cost savings in computation. Part Two
further outlines key methods, with step-by-step guidance supporting
readers in studying and practicing simulation processes. Part Three then
shows how these theories are controlled and applied in practice,
through examples and case studies on varied applications. This book is a
practical guide for new learners, supporting them in learning and
applying molecular modeling in practice, whilst also providing more
experienced readers with the knowledge needed to gain a deep
understanding of the theoretical background behind key methods.
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