By providing expositions to modeling principles, theories, computational solutions, and open problems, this reference presents a full scope on relevant biological phenomena, modeling frameworks, technical challenges, and algorithms.Up-to-date developments of structures of biomolecules, systems biology, advanced models, and algorithmsSampling techniques for estimating evolutionary rates and generating molecular structuresAccurate computation of probability landscape of stochastic networks, solving discrete chemical master equationsEnd-of-chapter exercises