Innovations in Biomolecular Modeling and Simulations


Book Description

This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.







Molecular Theory of Capillarity


Book Description

History of surface phenomena offers critical and detailed examination and assessment of modern theories, focusing on statistical mechanics and application of results in mean-field approximation to model systems. 1989 edition.




Dynamic Force Spectroscopy and Biomolecular Recognition


Book Description

Molecular recognition, also known as biorecognition, is the heart of all biological interactions. Originating from protein stretching experiments, dynamic force spectroscopy (DFS) allows for the extraction of detailed information on the unbinding process of biomolecular complexes. It is becoming progressively more important in biochemical studies and is finding wider applications in areas such as biophysics and polymer science. In six chapters, Dynamic Force Spectroscopy and Biomolecular Recognition covers the most recent ideas and advances in the field of DFS applied to biorecognition: Chapter 1: Reviews the basic and novel aspects of biorecognition and discusses the emerging capabilities of single-molecule techniques to disclose kinetic properties and molecular mechanisms usually hidden in bulk measurements Chapter 2: Describes the basic principle of atomic force microsocopy (AFM) and DFS, with particular attention to instrumental and theoretical aspects more strictly related to the study of biomolecules Chapter 3: Overviews the theoretical background in which experimental data taken in nonequilibrum measurements of biomolecular unbinding forces are extrapolated to equilibrium conditions Chapter 4: Reviews the most common and efficient strategies adopted in DFS experiments to immobilize the interacting biomolecules to the AFM tip and to the substrate Chapter 5: Presents and discusses the most representative aspects related to the analysis of DFS data and the challenges of integrating well-defined criteria to calibrate data in automatic routinary procedures Chapter 6: Overviews the most relevant DFS applications to study biorecognition processes, including the biotin/avidin pair, and selected results on various biological complexes, including antigen/antibody, proteins/DNA, and complexes involved in adhesion processes Chapter 7: Summarizes the main results obtained by DFS applied to study biorecognition processes with forthcoming theoretical and experimental advances Although DFS is a widespread, worldwide technique, no books focused on this subject have been available until now. Dynamic Force Spectroscopy and Biomolecular Recognition provides the state of the art of experimental data analysis and theoretical procedures, making it a useful tool for researchers applying DFS to study biorecognition processes.




Metastability and Markov State Models in Molecular Dynamics


Book Description

Applications in modern biotechnology and molecular medicine often require simulation of biomolecular systems in atomic representation with immense length and timescales that are far beyond the capacity of computer power currently available. As a consequence, there is an increasing need for reduced models that describe the relevant dynamical properties while at the same time being less complex. In this book the authors exploit the existence of metastable sets for constructing such a reduced molecular dynamics model, the so-called Markov state model (MSM), with good approximation properties on the long timescales. With its many examples and illustrations, this book is addressed to graduate students, mathematicians, and practical computational scientists wanting an overview of the mathematical background for the ever-increasing research activity on how to construct MSMs for very different molecular systems ranging from peptides to proteins, from RNA to DNA, and via molecular sensors to molecular aggregation. This book bridges the gap between mathematical research on molecular dynamics and its practical use for realistic molecular systems by providing readers with tools for performing in-depth analysis of simulation and data-analysis methods. Titles in this series are co-published with the Courant Institute of Mathematical Sciences at New York University.




Encyclopedia of Bioinformatics and Computational Biology


Book Description

Encyclopedia of Bioinformatics and Computational Biology: ABC of Bioinformatics, Three Volume Set combines elements of computer science, information technology, mathematics, statistics and biotechnology, providing the methodology and in silico solutions to mine biological data and processes. The book covers Theory, Topics and Applications, with a special focus on Integrative –omics and Systems Biology. The theoretical, methodological underpinnings of BCB, including phylogeny are covered, as are more current areas of focus, such as translational bioinformatics, cheminformatics, and environmental informatics. Finally, Applications provide guidance for commonly asked questions. This major reference work spans basic and cutting-edge methodologies authored by leaders in the field, providing an invaluable resource for students, scientists, professionals in research institutes, and a broad swath of researchers in biotechnology and the biomedical and pharmaceutical industries. Brings together information from computer science, information technology, mathematics, statistics and biotechnology Written and reviewed by leading experts in the field, providing a unique and authoritative resource Focuses on the main theoretical and methodological concepts before expanding on specific topics and applications Includes interactive images, multimedia tools and crosslinking to further resources and databases







Thermodynamics and Kinetics of Drug Binding


Book Description

This practical reference for medicinal and pharmaceutical chemists combines the theoretical background with modern methods as well as applications from recent lead finding and optimization projects. Divided into two parts on the thermodynamics and kinetics of drug-receptor interaction, the text provides the conceptual and methodological basis for characterizing binding mechanisms for drugs and other bioactive molecules. It covers all currently used methods, from experimental approaches, such as ITC or SPR, right up to the latest computational methods. Case studies of real-life lead or drug development projects are also included so readers can apply the methods learned to their own projects. Finally, the benefits of a thorough binding mode analysis for any drug development project are summarized in an outlook chapter written by the editors.




Henry's Clinical Diagnosis and Management by Laboratory Methods E-Book


Book Description

For more than 100 years, Henry's Clinical Diagnosis and Management by Laboratory Methods has been recognized as the premier text in clinical laboratory medicine, widely used by both clinical pathologists and laboratory technicians. Leading experts in each testing discipline clearly explain procedures and how they are used both to formulate clinical diagnoses and to plan patient medical care and long-term management. Employing a multidisciplinary approach, it provides cutting-edge coverage of automation, informatics, molecular diagnostics, proteomics, laboratory management, and quality control, emphasizing new testing methodologies throughout. - Remains the most comprehensive and authoritative text on every aspect of the clinical laboratory and the scientific foundation and clinical application of today's complete range of laboratory tests. - Updates include current hot topics and advances in clinical laboratory practices, including new and extended applications to diagnosis and management. New content covers next generation mass spectroscopy (MS), coagulation testing, next generation sequencing (NGS), transfusion medicine, genetics and cell-free DNA, therapeutic antibodies targeted to tumors, and new regulations such as ICD-10 coding for billing and reimbursement. - Emphasizes the clinical interpretation of laboratory data to assist the clinician in patient management. - Organizes chapters by organ system for quick access, and highlights information with full-color illustrations, tables, and diagrams. - Provides guidance on error detection, correction, and prevention, as well as cost-effective test selection. - Includes a chapter on Toxicology and Therapeutic Drug Monitoring that discusses the necessity of testing for therapeutic drugs that are more frequently being abused by users. - Enhanced eBook version included with purchase. Your enhanced eBook allows you to access all of the text, figures, and references from the book on a variety of devices.