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Multi-Scale Approaches in Drug Discovery : From Empirical Knowledge to In silico Experiments and Back
Drug discovery is an expensive, time-consuming process and the modern drug discovery community is constantly challenged not only with discovering novel bioactive agents to combat resistance from known diseases and fight against new ones, but to do so in a way that is economically effective. Advances in both experimental and theoretical/computational methods envisage that the greatest challenges in drug discovery can be most successfully addressed by using a multi-scale approach, drawing on the specialties of a whole host of different disciplines. Multi-Scale Approaches to Drug Discovery furnishes chemists with the detail they need to identify drug leads with the highest potential before isolating and synthesizing them to produce effective drugs with greater swiftness than classical methods may allow. This significantly speeds up the search for more efficient therapeutic agents.
mm-Wave Silicon Technology : 60 GHz and Beyond
mm-Wave Silicon Technology: 60GHz and Beyond covers silicon-based millimeter wave circuits and systems. It provides in depth coverage of advanced silicon processing technologies including CMOS and SiGe as well as modeling of active and passive devices on silicon at millimeter waves. It also provides coverage of mm-wave circuit building blocks such as low noise amplifiers, mixers, voltage controlled oscillators, frequency dividers, and power amplifiers that are suitable for integration in silicon. The book contains information on highly integrated mm-wave transceiver architectures with several silicon-based case studies. The book also includes advanced topics such as antenna arrays and beam-forming on silicon.
Metabolome Analyses : Strategies for Systems Biology
Metabolome Analyses is intended as a follow-up to Metabolic Profiling: Its Role in Biomarker Discovery and Gene Function Analysis (Kluwer, 2003). That text offered guidelines to currently available technology, bioinformatics and databases. Evidence was presented showing metabolic profiling as a valuable addition to genomics and proteomics strategies devoted to drug discovery and development. This book focuses on how metabolic profiling is being more comprehensively integrated with the other "omics" technologies. It provides more practical applications of such "panomics" or "Systems Biology" approaches. The expanding use of mass spectrometry as a measurement technology in metabolic profiling is addressed through demonstrated applications. The integration of metabolic profiling and proteomics is probably most developed for plant-based studies, which was not addressed in Volume 1. Other areas related to metabolic profiling continue to show significant development. These include database strategies and an increased acceptance by the pharmaceutical industry of metabolic profiling. Also covered is the use of in silico metabolic networks. Again the focus is primarily on the pharmaceutical industry but the importance of metabolic profiling to studies on human nutrition (a burgeoning area) is discussed.
Memory B-cells : Methods and protocols
Details in methods to assess memory B cell formation and function in mice and humans. Chapters guide readers through tetramer-based methods to assess antigen-specific memory B cell dynamics in humans and mice in different vaccine, next-generation deep-sequencing, single-cell techniques to assess epigenomic, VDJ landscapes, lymph node aspirates from humans, advanced imaging, murine models to determine memory B cells formation, and bioinformatic techniques and in silico modelling of memory b cell formation. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and key tips on troubleshooting and avoiding known pitfalls.
Membrane Computing; 8th International Workshop, WMC 2007 Thessaloniki, Greece, June 25-28, 2007 Revised Selected and Invited Papers
This volume contains a selection of papers presented at the Eighth Workshop on Membrane Computing, WMC8, which took place in Thessaloniki, Greece, during June 25–28, 2008. Special attention was paid to the interaction of membrane computing with biology and computer science, focusing on the - ological roots of membrane computing, on applications of membrane computing in biology and medicine, and on possible electronically based implementations.
In Silico Immunology
"in silico Immunology" is a book for the future: it will summarize these emergent disciplines and, while focusing on cutting edge developments, will address the issue of synergy as it shows how these three are set to transform immunological science and the future of health care.
In Silico Dreams : How Artificial Intelligence and Biotechnology Will Create the Medicines of the Future
In Silico Dreams: How Artificial Intelligence and Biotechnology Will Create the Medicines of the Future delivers an illuminating and fresh perspective on the convergence of two powerful technologies: AI and biotech. Accomplished genomics expert, executive, and author Brian Hilbush offers readers a brilliant exploration of the most current work of pioneering tech giants and biotechnology startups who have already started disrupting healthcare.
Immunoinformatics
Immunoinformatics is an emerging subdiscipline of bioinformatics. It utilizes mathematics, information science, computer engineering, genomics, proteomics and immunological methods to bridge immunology and informatics. Similar to bioionformatics which became a driving force in genome research, immunoinformatics enables data-driven research strategies and systems approaches that aim at understanding the networks regulating the immune system. Considering the breath of topic, Immunoinformatics was composed to provide a cross-section of research ranging from data integration, epitope predictions to systems level applications. In ten chapters experts in the field introduce and discuss research strategies for immunologists and bioinformaticians who wish to endeavour existing and new approaches to gain insight into the workings of the immune system.
High performance computing for drug discovery and biomedicine
Explores the application of high-performance computing (HPC) technologies to computational drug discovery (CDD) and biomedicine. 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. And 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.
GPCRs : From Deorphanization to Lead Structure Identification
The book highlights the following topics: Structure of GPCRs, Design of GPCR Ligands, GPCR Signalling, Deorphanization and Assay Development. All chapters are written by leading experts in the field, discussing the most recent state of the art. They give insight into the approaches taken by industry and academia to address GPCRs and depict how mature this target class-oriented research has become in the last decade. The book reflects the actual trends in the fast-emerging field of GPCR research in academia and industry.
Golden gate cloning : Methods and protocols
Provides an overview of the latest protocols that cover the full range of in silico, in vitro, and in vivo approaches to help researchers plan, design, and perform Golden Gate cloning experiments. The chapters in this book cover topics such as Golden Gate cloning of standardized parts; modular DNA construct design for high-throughput Golden Gate Assembly; Golden Gate cloning of Synthetic CRISPR RNA spacer sequences; Golden Gate cloning in Actinobacteria; and YeastFab cloning of toxic genes and protein expression optimization in yeast.
Genetic Programming ; 11th European Conference, EuroGP 2008, Naples, Italy, March 26-28, 2008. Proceedings
The 11th European Conference on Genetic Programming, EuroGP 2008, took place in Naples, Italy from 26 to 28 March in the University of Naples Congress Centre with spectacular views over the Gulf of Naples. This volume contains the papers for the 21 oral presentations and 10 posters that were presented during this time. A diverse array of topics were covered refecting the current state of research in the ?eld of Genetic Programming, including the latest work on representations, theory, operators and analysis, evolvable hardware, agents and numerous applications. A rigorous, double-blind peer review process was employed, with each s- mission reviewed by at least three members of the international Program C- mittee.
Formal Methods for Computational Systems Biology ; 8th International School on Formal Methods for the Design of Computer, Communication, and Software Systems, SFM 2008 Bertinoro, Italy, June 2-7, 2008 Advanced Lectures
This volume presents the set of papers accompanying the lectures of the eighth International School on Formal Methods for the Design of Computer, Com- nication, and Software Systems (SFM). This series of schools addresses the use of formal methods in computer science asaprominent approach to theri gorousdesign of computer, communication, and software systems. The main aim of the SFM series is to ofer a good spectrum of current research in foundations as well as applications of formal methods, which can be of help for graduate students and young researchers who intend to approach the feld.
Drug Absorption Studies : In Situ, In Vitro and In Silico Models
In the last 15 years, a great number of cell- or tissue-based in vitro models have been introduced into the biopharmaceutics arena. These models mimic the different biological barriers that a drug has to overcome to finally reach its target organ/cell/receptor. These in vitro models have been found very useful in not only characterising the permeability behaviour of drugs molecules in epithelial and endothelial tissues, but also studying drug delivery systems for improved delivery and enhanced absorption. Compared to the complex in vivo situation, in vitro models offer a fast, convenient approach with cost advantages most of times. Most importantly, they can be standardised and automatised to be applicable to the high-throughput screening. Starting at the molecular level of studies, continuing with cell monolayer models (both primary and cell lines) and in situ techniques as a final testing format, the book provides a practical approach to contemporary in vitro techniques for drug absorption studies. In addition, chapters on high-throughput assays, in vitro-in vivo correlation, bioinformatics and regulatory issues are covered, giving a comprehensive overview of available models and techniques. Moreover, an appendix comprised with a number of practical protocols is available online, updated as needed, should prove very helpful to apply the techniques directly to the benchside.
Design and Optimization of Passive UHF RFID Systems
Radio Frequency Identification (RFID) is an automatic identification method, relying on storing and remotely retrieving data using devices called RFID tags or transponders. An RFID tag is an object that can be attached to or incorporated into a product, animal, or person for the purpose of identification using radio waves. Chip-based RFID tags contain silicon chips and antennas. Active tags require an internal power source, while passive tags do not.
Data Integration in the Life Sciences ; 4th International Workshop, DILS 2007, Philadelphia, PA, USA, June 27-29, 2007, Proceedings
it cover a wide spectrum of theoretical and practical issues including scienti?c work?ows, - notation in data integration, mapping and matching techniques, and modeling of life science data. It presenting research on new models, methods, or algorithms and 6 papers presenting imp- mentation of systems or experience with systems in practice.
Conceptual density functional theory : Towards a new chemical reactivity theory
This two-volume reference book shows how conceptual density functional theory can reconcile empirical observations within silico calculations using density functional theory, molecular orbital theory, and valence bond theory. The ability to predict properties like electronegativity, acidity/basicity, strong covalent and weak intermolecular interactions as well as chemical reactivity makes DFT directly applicable to almost all problems in applied chemistry, from synthetic chemistry to catalyst design and materials characterization.
Computer Aided Pharmaceutics and Drug Delivery : An Application Guide for Students and Researchers of Pharmaceutical Sciences
Examines the role of computer-assisted techniques for discovering, designing, optimizing and manufacturing new, effective, and safe pharmaceutical formulations and drug delivery systems. The book discusses computational approaches, statistical modeling and molecular modeling for the development and safe delivery of drugs in humans. The application of concepts of QbD (Quality by Design), DoE (Design of Experiments), artificial intelligence and in silico pharmacokinetic assessment/simulation have been made a lot easier with the help of commercial software and expert systems. This title provides in-depth knowledge of such useful software with illustrations from the latest researches. The book also fills in the gap between pharmaceutics and molecular modeling at micro, meso and maro scale by covering topics such as advancements in computer-aided Drug Design (CADD), drug-polymer interactions in drug delivery systems, molecular modeling of nanoparticles and pharmaceutics/bioinformatics.
Computational methods in systems biology ; Vol. 4210 ; International Conference, CMSB 2006, Trento, Italy, October 18-19, 2006, Proceedings
This book constitutes the refereed proceedings of the International Conference on Computational Methods in Systems Biology, CMSB 2006, held in Trento, Italy, in October 2006. The papers present a variety of techniques from computer sciences, such as language design, concurrency theory, software engineering, and formal methods.
Computational methods in systems biology ; Vol. 3082 ; International Conference CMSB 2004, Paris, France, May 26-28, 2004, Revised Selected Papers
present CMBSlib, a library of Computational Models of Biological Systems. It is aimed at providing a list of test problems for formalisms, modeling issues and implementation issues in systems biology. The main motivation for CMBSlib is to stimulate research on the formal modeling of biological systems, by facilitating the exchange of formal models between researchers, and by providing a forum of comparison and validation of not only models, but also modeling formalisms and implementations. Unlike a standardization effort, CMBSlib welcomes the most exotic formalisms and models provided they attack the modeling of well documented biological systems. Models of biological systems written in any referenced formalism can be submitted to CMBSlib. No special format or standard is required. We discuss the advantages of and problems encountered in building such a library, give an example of typical entry in the library, and most of all we invite the community to become active contributors to CMBSlib.
