Multi Scale Approaches in Drug Discovery

Multi Scale Approaches in Drug Discovery
Author: Alejandro Speck-Planche
Publsiher: Elsevier
Total Pages: 238
Release: 2017-02-14
ISBN 10: 008101242X
ISBN 13: 9780081012420
Language: EN, FR, DE, ES & NL

Multi Scale Approaches in Drug Discovery Book Review:

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. After an introduction to multi-scale approaches outlining the need for and benefits of their use, the book goes on to explore a range of useful techniques and research areas, and their potential applications to this process. Profiling drug binding by thermodynamics, machine learning for predicting enzyme sub-classes, and multitasking models for computer-aided design and virtual compound screening are discussed, before the book goes on to review Alkaloid Menispermaceae leads, natural chemotherapeutic agents and methods for speeding up the design and virtual screening of therapeutic peptides. Flavonoids as multi-target compounds are then explored, before the book concludes with a review of Quasi-SMILES as a novel tool. Collecting together reviews and original research contributions written by leading experts in the field, Multi-Scale Approaches to Drug Discovery highlights cutting-edge approaches and practical examples of their implementation for those involved in the drug discovery process at many different levels. Using the combined knowledge of medicinal, computational, pharmaceutical and bio- chemists, it aims to support growth in the multi-scale approach to promote greater success in the development of new drugs. Offers practical guidance on ways to implement multiscale approaches for increased efficiency in drug discovery Draws on the experience of a highly skilled team of authors under the editorial guidance of one of the field's leading experts Includes cutting-edge techniques at the forefront of medicinal chemistry and drug discovery optimization

Multiscale Approaches to Protein Modeling

Multiscale Approaches to Protein Modeling
Author: Andrzej Kolinski
Publsiher: Springer Science & Business Media
Total Pages: 355
Release: 2010-10-13
ISBN 10: 9781441968890
ISBN 13: 144196889X
Language: EN, FR, DE, ES & NL

Multiscale Approaches to Protein Modeling Book Review:

The book gives a comprehensive review of the most advanced multiscale methods for protein structure prediction, computational studies of protein dynamics, folding mechanisms and macromolecular interactions. It approaches span a wide range of the levels of coarse-grained representations, various sampling techniques and variety of applications to biomedical and biophysical problems. This book is intended to be used as a reference book for those who are just beginning their adventure with biomacromolecular modeling but also as a valuable source of detailed information for those who are already experts in the field of biomacromolecular modeling and in related areas of computational biology or biophysics.

Drug Discovery and Development

Drug Discovery and Development
Author: Ramarao Poduri
Publsiher: Springer Nature
Total Pages: 329
Release: 2021
ISBN 10: 9811555346
ISBN 13: 9789811555343
Language: EN, FR, DE, ES & NL

Drug Discovery and Development Book Review:

Machine Learning in Chemistry

Machine Learning in Chemistry
Author: Hugh M. Cartwright
Publsiher: Royal Society of Chemistry
Total Pages: 329
Release: 2020-07-15
ISBN 10: 1788017897
ISBN 13: 9781788017893
Language: EN, FR, DE, ES & NL

Machine Learning in Chemistry Book Review:

Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.

Handbook of Biomarkers and Precision Medicine

Handbook of Biomarkers and Precision Medicine
Author: Claudio Carini,Mark Fidock,Alain van Gool
Publsiher: CRC Press
Total Pages: 631
Release: 2019-04-16
ISBN 10: 0429574622
ISBN 13: 9780429574627
Language: EN, FR, DE, ES & NL

Handbook of Biomarkers and Precision Medicine Book Review:

"The field of Biomarkers and Precision Medicine in drug development is rapidly evolving and this book presents a snapshot of exciting new approaches. By presenting a wide range of biomarker applications, discussed by knowledgeable and experienced scientists, readers will develop an appreciation of the scope and breadth of biomarker knowledge and find examples that will help them in their own work." -Maria Freire, Foundation for the National Institutes of Health Handbook of Biomarkers and Precision Medicine provides comprehensive insights into biomarker discovery and development which has driven the new era of Precision Medicine. A wide variety of renowned experts from government, academia, teaching hospitals, biotechnology and pharmaceutical companies share best practices, examples and exciting new developments. The handbook aims to provide in-depth knowledge to research scientists, students and decision makers engaged in Biomarker and Precision Medicine-centric drug development. Features: Detailed insights into biomarker discovery, validation and diagnostic development with implementation strategies Lessons-learned from successful Precision Medicine case studies A variety of exciting and emerging biomarker technologies The next frontiers and future challenges of biomarkers in Precision Medicine Claudio Carini, Mark Fidock and Alain van Gool are internationally recognized as scientific leaders in Biomarkers and Precision Medicine. They have worked for decades in academia and pharmaceutical industry in EU, USA and Asia. Currently, Dr. Carini is Honorary Faculty at Kings’s College School of Medicine, London, UK. Dr. Fidock is Vice President of Precision Medicine Laboratories at AstraZeneca, Cambridge, UK. Prof.dr. van Gool is Head Translational Metabolic Laboratory at Radboud university medical school, Nijmegen, NL.

Physico Chemical and Computational Approaches to Drug Discovery

Physico Chemical and Computational Approaches to Drug Discovery
Author: F. Javier Luque,Xavier Barril
Publsiher: Royal Society of Chemistry
Total Pages: 418
Release: 2012
ISBN 10: 1849733538
ISBN 13: 9781849733533
Language: EN, FR, DE, ES & NL

Physico Chemical and Computational Approaches to Drug Discovery Book Review:

Provides an updated view of the current challenges faced by computational tools to decipher the basis of ligand-receptor interaction and modeling of biomolecular systems and drug discovery.

Multiscale Approach to Assess Forest Vulnerability

Multiscale Approach to Assess Forest Vulnerability
Author: Giovanna Battipaglia,Veronica De Micco,Andreas Rigling
Publsiher: Frontiers Media SA
Total Pages: 329
Release: 2020-07-14
ISBN 10: 288963860X
ISBN 13: 9782889638604
Language: EN, FR, DE, ES & NL

Multiscale Approach to Assess Forest Vulnerability Book Review:

Multiscale Entropy Approaches and Their Applications

Multiscale Entropy Approaches and Their Applications
Author: Anne Humeau-Heurtier
Publsiher: MDPI
Total Pages: 446
Release: 2020-11-06
ISBN 10: 3039433407
ISBN 13: 9783039433407
Language: EN, FR, DE, ES & NL

Multiscale Entropy Approaches and Their Applications Book Review:

Multiscale entropy (MSE) measures to evaluate the complexity of time series by taking into account the multiple time scales in physical systems were proposed in the early 2000s. Since then, these approaches have received a great deal of attention and have been used in a wide range of applications. Multivariate approaches have also been developed. The algorithms for an MSE approach are composed of two main steps: (i) a coarse-graining procedure to represent the system’s dynamics on different scales and (ii) the entropy computation for the original signal and for the coarse-grained time series to evaluate the irregularity for each scale. Moreover, different entropy measures have been associated with the coarse-graining approach, each one having its advantages and drawbacks. In this Special Issue, we gathered 24 papers focusing on either the theory or applications of MSE approaches. These papers can be divided into two groups: papers that propose new developments in entropy-based measures or improve the understanding of existing ones (9 papers) and papers that propose new applications of existing entropy-based measures (14 papers). Moreover, one paper presents a review of cross-entropy methods and their multiscale approaches.

Genetically Modified Crops in Asia Pacific

Genetically Modified Crops in Asia Pacific
Author: Mao Chen,G Gujar,Y Andi Trisyono
Publsiher: CSIRO PUBLISHING
Total Pages: 344
Release: 2021-02-01
ISBN 10: 1486310915
ISBN 13: 9781486310913
Language: EN, FR, DE, ES & NL

Genetically Modified Crops in Asia Pacific Book Review:

Meeting future food needs without compromising environmental integrity is a central challenge for agriculture globally but especially for the Asia Pacific region – where 60% of the global population, including some of the world’s poorest, live on only 30% of the land mass. To guarantee the food security of this and other regions, growers worldwide are rapidly adopting genetically modified (GM) crops as the forerunner to protect against many biotic and abiotic stresses. Asia Pacific countries play an important role in this, with India, China and Pakistan appearing in the top 10 countries with acreage of GM crops, primarily devoted to Bt cotton. Genetically Modified Crops in Asia Pacific discusses the progress of GM crop adoption across the Asia Pacific region over the past two decades, including research, development, adoption and sustainability, as well as the cultivation of insect resistant Bt brinjal, drought-tolerant sugarcane, late blight resistant potato and biotech rice more specific to this region. Regulatory efforts of the Asia Pacific member nations to ensure the safety of GM crops to both humans and the environment are also outlined to provide impetus in other countries initiating biotech crops. The authors also probe into some aspects of gene editing and nanobiotechnology to expand the scope into next generation GM crops, including the potential to grow crops in acidic soil, reduce methane production, remove poisonous elements from plants and improve overall nutritional quality. Genetically Modified Crops in Asia Pacific provides a comprehensive reference not only for academics, researchers and private sectors in crop systems but also policy makers in the Asia Pacific region. Beyond this region, readers will benefit from understanding how GM crops have been integrated into many different countries and, in particular, the effects of the take-up of GM cropping systems by farmers with different socioeconomic backgrounds.

Systems Biomedicine

Systems Biomedicine
Author: Edison T. Liu,Douglas A. Lauffenburger
Publsiher: Academic Press
Total Pages: 448
Release: 2009-09-17
ISBN 10: 9780080919836
ISBN 13: 0080919839
Language: EN, FR, DE, ES & NL

Systems Biomedicine Book Review:

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

Encyclopedia of Cell Biology

Encyclopedia of Cell Biology
Author: Anonim
Publsiher: Academic Press
Total Pages: 3008
Release: 2015-08-07
ISBN 10: 0123947960
ISBN 13: 9780123947963
Language: EN, FR, DE, ES & NL

Encyclopedia of Cell Biology Book Review:

The Encyclopedia of Cell Biology offers a broad overview of cell biology, offering reputable, foundational content for researchers and students across the biological and medical sciences. This important work includes 285 articles from domain experts covering every aspect of cell biology, with fully annotated figures, abundant illustrations, videos, and references for further reading. Each entry is built with a layered approach to the content, providing basic information for those new to the area and more detailed material for the more experienced researcher. With authored contributions by experts in the field, the Encyclopedia of Cell Biology provides a fully cross-referenced, one-stop resource for students, researchers, and teaching faculty across the biological and medical sciences. Fully annotated color images and videos for full comprehension of concepts, with layered content for readers from different levels of experience Includes information on cytokinesis, cell biology, cell mechanics, cytoskeleton dynamics, stem cells, prokaryotic cell biology, RNA biology, aging, cell growth, cell Injury, and more In-depth linking to Academic Press/Elsevier content and additional links to outside websites and resources for further reading A one-stop resource for students, researchers, and teaching faculty across the biological and medical sciences

A Mathematical Approach to Multilevel Multiscale Health Interventions

A Mathematical Approach to Multilevel  Multiscale Health Interventions
Author: Rodrick Wallace,Deborah Wallace
Publsiher: World Scientific
Total Pages: 238
Release: 2013
ISBN 10: 1848169973
ISBN 13: 9781848169975
Language: EN, FR, DE, ES & NL

A Mathematical Approach to Multilevel Multiscale Health Interventions Book Review:

This book, based on published studies, takes a unique perspective on the 30-year collapse of pharmaceutical industry productivity in the search for small molecule OC magic bulletOCO interventions. The relentless escalation of inflation-adjusted cost per approved medicine in the United States OCo from $200 million in 1950 to $1.2 billion in 2010 OCo has driven industry giants to, at best, slavish imitation in drug design, and at worst, abandonment of research and embracing of widespread fraud in consumer marketing.The book adapts formalism across a number of disciplines to the strategy for design of mutilevel interventions, focusing first on molecular, cellular, and larger scale examples, and then extending the argument to the simplifications provided by the dominant role of social and cultural structures and processes in individual and population patterns of health and illness.In place of OC magic bulletsOCO, we must now apply OC magic strategiesOCO that act across both the scale and level of organization. This book provides an introductory roadmap to the new tools that will be needed for the design of such strategies."

Complexity Explained

Complexity Explained
Author: Peter Erdi
Publsiher: Springer Science & Business Media
Total Pages: 397
Release: 2007-11-09
ISBN 10: 3540357785
ISBN 13: 9783540357780
Language: EN, FR, DE, ES & NL

Complexity Explained Book Review:

This book explains why complex systems research is important in understanding the structure, function and dynamics of complex natural and social phenomena. It illuminates how complex collective behavior emerges from the parts of a system, due to the interaction between the system and its environment. Readers will learn the basic concepts and methods of complex system research. The book is not highly technical mathematically, but teaches and uses the basic mathematical notions of dynamical system theory, making the book useful for students of science majors and graduate courses.

Multiscale Cancer Modeling

Multiscale Cancer Modeling
Author: Thomas S. Deisboeck,Georgios S. Stamatakos
Publsiher: CRC Press
Total Pages: 484
Release: 2010-12-08
ISBN 10: 9781439814420
ISBN 13: 1439814422
Language: EN, FR, DE, ES & NL

Multiscale Cancer Modeling Book Review:

Cancer is a complex disease process that spans multiple scales in space and time. Driven by cutting-edge mathematical and computational techniques, in silico biology provides powerful tools to investigate the mechanistic relationships of genes, cells, and tissues. It enables the creation of experimentally testable hypotheses, the integration of data across scales, and the prediction of tumor progression and treatment outcome (in silico oncology). Drawing on an interdisciplinary group of distinguished international experts, Multiscale Cancer Modeling discusses the scientific and technical expertise necessary to conduct innovative cancer modeling research across scales. It presents contributions from some of the top in silico modeling groups in the United States and Europe. The ultimate goal of multiscale modeling and simulation approaches is their use in clinical practice, such as supporting patient-specific treatment optimization. This volume covers state-of-the-art methods of multiscale cancer modeling and addresses the field’s potential as well as future challenges. It encourages collaborations among researchers in various disciplines to achieve breakthroughs in cancer modeling.

Computational Models of Brain and Behavior

Computational Models of Brain and Behavior
Author: Ahmed A. Moustafa
Publsiher: John Wiley & Sons
Total Pages: 584
Release: 2017-09-18
ISBN 10: 1119159180
ISBN 13: 9781119159186
Language: EN, FR, DE, ES & NL

Computational Models of Brain and Behavior Book Review:

A comprehensive Introduction to the world of brain and behavior computational models This book provides a broad collection of articles covering different aspects of computational modeling efforts in psychology and neuroscience. Specifically, it discusses models that span different brain regions (hippocampus, amygdala, basal ganglia, visual cortex), different species (humans, rats, fruit flies), and different modeling methods (neural network, Bayesian, reinforcement learning, data fitting, and Hodgkin-Huxley models, among others). Computational Models of Brain and Behavior is divided into four sections: (a) Models of brain disorders; (b) Neural models of behavioral processes; (c) Models of neural processes, brain regions and neurotransmitters, and (d) Neural modeling approaches. It provides in-depth coverage of models of psychiatric disorders, including depression, posttraumatic stress disorder (PTSD), schizophrenia, and dyslexia; models of neurological disorders, including Alzheimer’s disease, Parkinson’s disease, and epilepsy; early sensory and perceptual processes; models of olfaction; higher/systems level models and low-level models; Pavlovian and instrumental conditioning; linking information theory to neurobiology; and more. Covers computational approximations to intellectual disability in down syndrome Discusses computational models of pharmacological and immunological treatment in Alzheimer's disease Examines neural circuit models of serotonergic system (from microcircuits to cognition) Educates on information theory, memory, prediction, and timing in associative learning Computational Models of Brain and Behavior is written for advanced undergraduate, Master's and PhD-level students—as well as researchers involved in computational neuroscience modeling research.

Systems Biology in Cancer Research and Drug Discovery

Systems Biology in Cancer Research and Drug Discovery
Author: Asfar S Azmi
Publsiher: Springer Science & Business Media
Total Pages: 423
Release: 2012-09-29
ISBN 10: 9400748191
ISBN 13: 9789400748194
Language: EN, FR, DE, ES & NL

Systems Biology in Cancer Research and Drug Discovery Book Review:

Systems Biology in Cancer Research and Drug Discovery provides a unique collection of chapters, by world-class researchers, describing the use of integrated systems biology and network modeling in the cancer field where traditional tools have failed to deliver expected promise. This book touches four applications/aspects of systems biology (i) in understanding aberrant signaling in cancer (ii) in identifying biomarkers and prognostic markers especially focused on angiogenesis pathways (iii) in unwinding microRNAs complexity and (iv) in anticancer drug discovery and in clinical trial design. This book reviews the state-of-the-art knowledge and touches upon cutting edge newer and improved applications especially in the area of network modeling. It is aimed at an audience ranging from students, academics, basic researcher and clinicians in cancer research. This book is expected to benefit the field of translational cancer medicine by bridging the gap between basic researchers, computational biologists and clinicians who have one ultimate goal and that is to defeat cancer.

Multiscale Modeling of Cardiac Electrophysiology Adaptation to Atrial and Ventricular Rhythm Disorders and Pharmacological Treatment

Multiscale Modeling of Cardiac Electrophysiology  Adaptation to Atrial and Ventricular Rhythm Disorders and Pharmacological Treatment
Author: Mathias Wilhelms
Publsiher: KIT Scientific Publishing
Total Pages: 204
Release: 2013
ISBN 10: 3731500450
ISBN 13: 9783731500452
Language: EN, FR, DE, ES & NL

Multiscale Modeling of Cardiac Electrophysiology Adaptation to Atrial and Ventricular Rhythm Disorders and Pharmacological Treatment Book Review:

Guanine Quartets

Guanine Quartets
Author: Lea Spindler,Wolfgang Fritzsche
Publsiher: Royal Society of Chemistry
Total Pages: 500
Release: 2012-11-13
ISBN 10: 1849736952
ISBN 13: 9781849736954
Language: EN, FR, DE, ES & NL

Guanine Quartets Book Review:

Guanosine and its derivatives have a high potential for self-recognition and self-assembly, as well as the recognition ability for other biologically important molecules. This book explores in detail these properties with the goal of increasing knowledge of the basic principles of guanosine-assembly, synthesis of new optimised materials and exploration of their electronic and optical properties. Following the work of COST Action MP0802, the aim is to design novel reproducible and well ordered supramolecular structures to serve as molecular-scale architectures for new hybrid molecular electronics. Coverage includes synthesis, characterisation and optimisation, theoretical modelling and prediction, biochemical and biorecognition properties and applications in nanotechnology especially in molecular electronics. Appealing to researchers working in the field ranging from chemists, biologists and material scientists, this title will be a welcome addition to the inter-disciplinary literature providing direction for future research and ideas for industrial applications.

Chemogenomics in Drug Discovery

Chemogenomics in Drug Discovery
Author: Hugo Kubinyi,Gerhard Müller
Publsiher: John Wiley & Sons
Total Pages: 487
Release: 2006-03-06
ISBN 10: 3527604022
ISBN 13: 9783527604029
Language: EN, FR, DE, ES & NL

Chemogenomics in Drug Discovery Book Review:

Chemogenomics brings together the most powerful concepts in modern chemistry and biology, linking combinatorial chemistry with genomics and proteomics. This first reference devoted to the topic covers all stages of the early drug discovery process, from target selection to compound library and lead design. With the combined expertise of 20 research groups from academia and leading pharmaceutical companies, this is a must-have for every drug developer and medicinal chemist applying the powerful methods of chemogenomics to speed up the drug discovery process.

Multiscale Modeling for Process Safety Applications

Multiscale Modeling for Process Safety Applications
Author: Arnab Chakrabarty,Sam Mannan,Tahir Cagin
Publsiher: Butterworth-Heinemann
Total Pages: 444
Release: 2015-11-29
ISBN 10: 0123972833
ISBN 13: 9780123972835
Language: EN, FR, DE, ES & NL

Multiscale Modeling for Process Safety Applications Book Review:

Multiscale Modeling for Process Safety Applications is a new reference demonstrating the implementation of multiscale modeling techniques on process safety applications. It is a valuable resource for readers interested in theoretical simulations and/or computer simulations of hazardous scenarios. As multi-scale modeling is a computational technique for solving problems involving multiple scales, such as how a flammable vapor cloud might behave if ignited, this book provides information on the fundamental topics of toxic, fire, and air explosion modeling, as well as modeling jet and pool fires using computational fluid dynamics. The book goes on to cover nanomaterial toxicity, QPSR analysis on relation of chemical structure to flash point, molecular structure and burning velocity, first principle studies of reactive chemicals, water and air reactive chemicals, and dust explosions. Chemical and process safety professionals, as well as faculty and graduate researchers, will benefit from the detailed coverage provided in this book. Provides the only comprehensive source addressing the use of multiscale modeling in the context of process safety Bridges multiscale modeling with process safety, enabling the reader to understand mapping between problem detail and effective usage of resources Presents an overall picture of addressing safety problems in all levels of modeling and the latest approaches to each in the field Features worked out examples, case studies, and a question bank to aid understanding and involvement for the reader