Computational Biomedicine unifies the different strands of a broad-ranging subject to demonstrate the power of a tool that has the potential to revolutionise our understanding of the human body, and the therapeutic strategies available to maintain and protect it.

Computational biology, mathematical biology, biology and biomedicine are currently undergoing spectacular progresses due to a synergy between technological advances and inputs from physics, chemistry, mathematics, statistics and computer science. The goal of this book is to evidence this synergy by describing selected developments in the following fields: bioinformatics, biomedicine and neuroscience. This work is unique in two respects - first, by the variety and scales of systems studied and second, by its presentation: Each chapter provides the biological or medical context, follows up with mathematical or algorithmic developments triggered by a specific problem and concludes with one or two success stories, namely new insights gained thanks to these methodological developments. It also highlights some unsolved and outstanding theoretical questions, with a potentially high impact on these disciplines. Two communities will be particularly interested in this book. The first one is the vast community of applied mathematicians and computer scientists, whose interests should be captured by the added value generated by the application of advanced concepts and algorithms to challenging biological or medical problems. The second is the equally vast community of biologists. Whether scientists or engineers, they will find in this book a clear and self-contained account of concepts and techniques from mathematics and computer science, together with success stories on their favorite systems. The variety of systems described represents a panoply of complementary conceptual tools. On a practical level, the resources listed at the end of each chapter (databases, software) offer invaluable support for getting started on a specific topic in the fields of biomedicine, bioinformatics and neuroscience.

This book provides an accessible yet rigorous introduction to topology and homology focused on the simplicial space. It presents a compact pipeline from the foundations of topology to biomedical applications. It will be of interest to medical physicists, computer scientists, and engineers, as well as undergraduate and graduate students interested in this topic. Features: Presents a practical guide to algebraic topology as well as persistence homology Contains application examples in the field of biomedicine, including the analysis of histological images and point cloud data

Systems biology is a critical emerging field that quantifies and annotates the complexity of biological systems in order to construct algorithmic models to predict outcomes from component input. Applications in medicine are revolutionizing our understanding of biological processes and systems. Systems Biomedicine is organized around foundations, computational modeling, network biology, and integrative biology, with the extension of examples from human biology and pharmacology, to focus on the applications of systems approaches to medical problems. An integrative approach to the underlying genomic, proteomic, and computational biology principles provides researchers with guidance in the use of qualitative systems and hypothesis generators. To reflect the highly interdisciplinary nature of the field, careful detail has been extended to ensure explanations of complex mathematical and biological principles are clear with minimum technical jargon. - Organized to reflect the important distinguishing characteristics of systems strategies in experimental biology and medicine - Provides precise and comprehensive measurement tools for constructing a model of the system and tools for defining complexity as an experimental dependent variable - Includes a thorough discussion of the applications of quantitative principles to biomedical problems

As in many other fields, biomedical engineers benefit from the use of computational intelligence (CI) tools to solve complex and non-linear problems. The benefits could be even greater if there were scientific literature that specifically focused on the biomedical applications of computational intelligence techniques. The first comprehensive field-

Complex Systems Science in Biomedicine Thomas S. Deisboeck and J. Yasha Kresh Complex Systems Science in Biomedicine covers the emerging field of systems science involving the application of physics, mathematics, engineering and computational methods and techniques to the study of biomedicine including nonlinear dynamics at the molecular, cellular, multi-cellular tissue, and organismic level. With all chapters helmed by leading scientists in the field, Complex Systems Science in Biomedicine's goal is to offer its audience a timely compendium of the ongoing research directed to the understanding of biological processes as whole systems instead of as isolated component parts. In Parts I & II, Complex Systems Science in Biomedicine provides a general systems thinking perspective and presents some of the fundamental theoretical underpinnings of this rapidly emerging field. Part III then follows with a multi-scaled approach, spanning from the molecular to macroscopic level, exemplified by studying such diverse areas as molecular networks and developmental processes, the immune and nervous systems, the heart, cancer and multi-organ failure. The volume concludes with Part IV that addresses methods and techniques driven in design and development by this new understanding of biomedical science. Key Topics Include: • Historic Perspectives of General Systems Thinking • Fundamental Methods and Techniques for Studying Complex Dynamical Systems • Applications from Molecular Networks to Disease Processes • Enabling Technologies for Exploration of Systems in the Life Sciences Complex Systems Science in Biomedicine is essential reading for experimental, theoretical, and interdisciplinary scientists working in the biomedical research field interested in a comprehensive overview of this rapidly emerging field. About the Editors: Thomas S. Deisboeck is currently Assistant Professor of Radiology at Massachusetts General Hospital and Harvard Medical School in Boston. An expert in interdisciplinary cancer modeling, Dr. Deisboeck is Director of the Complex Biosystems Modeling Laboratory which is part of the Harvard-MIT Martinos Center for Biomedical Imaging. J. Yasha Kresh is currently Professor of Cardiothoracic Surgery and Research Director, Professor of Medicine and Director of Cardiovascular Biophysics at the Drexel University College of Medicine. An expert in dynamical systems, he holds appointments in the School of Biomedical Engineering and Health Systems, Dept. of Mechanical Engineering and Molecular Pathobiology Program. Prof. Kresh is Fellow of the American College of Cardiology, American Heart Association, Biomedical Engineering Society, American Institute for Medical and Biological Engineering.

This volume explores the application of high-performance computing (HPC) technologies to computational drug discovery (CDD) and biomedicine. The first section collects CDD approaches that, together with HPC, can revolutionize and automate drug discovery process, such as knowledge graphs, natural language processing (NLP), Bayesian optimization, automated virtual screening platforms, alchemical free energy workflows, fragment-molecular orbitals (FMO), HPC-adapted molecular dynamic simulation (MD-HPC), and the potential of cloud computing for drug discovery. The second section delves into computational algorithms and workflows for biomedicine, featuring an HPC framework to assess drug-induced arrhythmic risk, digital patient applications relevant to the clinic, virtual human simulations, cellular and whole-body blood flow modeling for stroke treatments, prediction of the femoral bone strength from CT data, and many more subjects. Written for the highly successful Methods in Molecular Biology series, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step and readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, High Performance Computing for Drug Discovery and Biomedicine allows a diverse audience, including computer scientists, computational and medicinal chemists, biologists, clinicians, pharmacologists and drug designers, to navigate the complex landscape of what is currently possible and to understand the challenges and future directions of HPC-based technologies.