Computational biology is a discipline focused on the development and application of data-analytical and theoretical methods for the study of various behavioral, ecological, biological, and social systems. It incorporates mathematical modeling and computational simulation techniques and is closely associated with bioinformatics, which involves the use of computers for storing and processing biological data. As an interdisciplinary field, computational biology integrates concepts from biology, mathematics, biochemistry, chemistry, biophysics, molecular biology, and computer science. It also includes several sub-fields, such as computational anatomy, computational biomodeling, computational genetics, computational neuroscience, pharmacology, evolutionary biology, and computational neuropsychiatry. This book unfolds the innovative aspects of computational biology which will be crucial for the holistic understanding of the subject matter. It is a valuable compilation of topics, ranging from the basic to the most complex theories and principles in the field. This book will serve as a reference to a broad spectrum of readers.