This volume presents a review of the latest numerical techniques used to identify ligand binding and protein complexation sites. It should be noted that there are many other theoretical studies devoted to predicting the activity of specific proteins and that useful protein data can be found in numerous databases. The aim of advanced computational techniques is to identify the active sites in specific proteins and moreover to suggest a generalized mechanism by which such protein-ligand (or protein-protein) interactions can be effected. Developing such tools is not an easy task - it requires extensive expertise in the area of molecular biology as well as a firm grasp of numerical modeling methods. Thus, it is often viewed as a prime candidate for interdisciplinary research.

This open-access textbook is an excellent introduction to systems biology, which has developed rapidly in recent years. It discusses the processes in living organisms in an integrated way, enabling the reader to understand the fundamental principles and cause-effect relationships in biology and biochemistry. The authors have chosen an original but at the same time clear way of presenting the topics, repeatedly drawing comparisons and models from the macroscopic world and making the reader aware of the unity of the laws of physics, chemistry and biology. The fully updated 2nd edition also contains information that has only become available as a result of the increase in knowledge in recent years. This includes information on tumorigenesis, where significant progress has been made due to the explosive development of genetic knowledge as well as bioengineering with a highly effective technique adopted from the solutions of the bacterial world, such as CRISPR/CAS. This richly illustrated book is essential for postgraduate students and scientists of the following disciplines: biology, biotechnology, medicine, bioinformatics, robotics and automation, biocybernetics, and biomedical engineering. It is also an exciting read for anyone interested in biology.

Protein folding is a process by which a protein structure assumes its functional shape of conformation, and has been the subject of research since the publication of the first software tool for protein structure prediction. Protein folding in silico approaches this issue by introducing an ab initio model that attempts to simulate as far as possible the folding process as it takes place in vivo, and attempts to construct a mechanistic model on the basis of the predictions made. The opening chapters discuss the early stage intermediate and late stage intermediate models, followed by a discussion of structural information that affects the interpretation of the folding process. The second half of the book covers a variety of topics including ligand binding site recognition, the "fuzzy oil drop" model and its use in simulation of the polypeptide chain, and misfolded proteins. The book ends with an overview of a number of other ab initio methods for protein structure predictions and some concluding remarks.
Discusses a range of ab initio models for protein structure predictionIntroduces a unique model based on experimental observationsDescribes various methods for the quantitative assessment of the presented models from the viewpoint of information theory

Modern practical medicine requires high tech in diagnostics and therapy and in consequence in education. All disciplines use computers to handle large data bases allowing individual therapy, to interpret large data bases in form of neuronal signals, help visualization of organs during surgery. This book contains chapters on personalised therapy, advanced diagnostics in neurology, modern techniques like robotic surgery (da Vinci robots), 3D-printing and 3D-bioprinting, augmented reality applied in medical diagnostics and therapy. It is impossible without fast large scale data mining in both: clinical data interpretation as well as in hospital organization including hybrid surgery rooms and personal data flow. The book is based on a course for medical students organized in the editor's department. Every year, around 300 international undergraduate medical students take the course.

Simulations are an integral part of medical education today. Many universities have simulation centers, so-called skills labs, where students and medical personal can practice diagnostics and procedures on life-like mannequins. Others offer simulation courses in the different sub-disciplines. In the pre-clinical phase, simulations are used to illustrate basic principles in physiology, anatomy, genetics, and biochemistry. For example, simulations can show how the metabolism of enzymes changes in the presence of inhibitors, illustrating drug actions. This book covers all areas of simulations in medicine, starting from the molecular level via tissues and organs to the whole body. At the beginning of each chapter, a biological phenomenon is described, such as cell communication, gene translation, or the action of anti-carcinogenic drugs on tumors. In the following, simulations that illustrate these phenomena are discussed in detail, with the focus on how to use and interpret these simulations. The book is complemented by topics such as serious games and distance medicine. The book is based on a course for medical students organized in the editor's department. Every year, around 300 international undergraduate medical students take the course.

This volume presents a review of the latest numerical techniques used to identify ligand binding and protein complexation sites. It should be noted that there are many other theoretical studies devoted to predicting the activity of specific proteins and that useful protein data can be found in numerous databases. The aim of advanced computational techniques is to identify the active sites in specific proteins and moreover to suggest a generalized mechanism by which such protein-ligand (or protein-protein) interactions can be effected. Developing such tools is not an easy task - it requires extensive expertise in the area of molecular biology as well as a firm grasp of numerical modeling methods. Thus, it is often viewed as a prime candidate for interdisciplinary research.

From Globular Proteins to Amyloids proposes a model and mechanism for explaining protein misfolding. Concepts presented are based on a model originally intended to show how proteins attain their native conformations. This model is quantitative in nature and founded upon arguments derived from information theory. It facilitates prediction and simulation of the amyloid fibrillation process, also identifying the progressive changes that occur in native proteins that lead to the emergence of amyloid aggregations.

This open-access textbook is an excellent introduction to systems biology, which has developed rapidly in recent years. It discusses the processes in living organisms in an integrated way, enabling the reader to understand the fundamental principles and cause-effect relationships in biology and biochemistry. The authors have chosen an original but at the same time clear way of presenting the topics, repeatedly drawing comparisons and models from the macroscopic world and making the reader aware of the unity of the laws of physics, chemistry and biology. The fully updated 2nd edition also contains information that has only become available as a result of the increase in knowledge in recent years. This includes information on tumorigenesis, where significant progress has been made due to the explosive development of genetic knowledge as well as bioengineering with a highly effective technique adopted from the solutions of the bacterial world, such as CRISPR/CAS. This richly illustrated book is essential for postgraduate students and scientists of the following disciplines: biology, biotechnology, medicine, bioinformatics, robotics and automation, biocybernetics, and biomedical engineering. It is also an exciting read for anyone interested in biology.