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Multi Scale Approaches in Drug Discovery

Multi Scale Approaches in Drug Discovery
  • Author : Alejandro Speck-Planche
  • Publsiher : Elsevier
  • Release : 14 February 2017
  • ISBN : 008101242X
  • Pages : 238 pages
  • Rating : 4/5 from 21 ratings
GET THIS BOOKMulti Scale Approaches in Drug Discovery

Summary:
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


Multi-Scale Approaches in Drug Discovery

Multi-Scale Approaches in Drug Discovery
  • Author : Alejandro Speck-Planche
  • Publisher : Elsevier
  • Release : 14 February 2017
GET THIS BOOKMulti-Scale Approaches in Drug Discovery

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

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Machine Learning in Chemistry

Machine Learning in Chemistry
  • Author : Hugh M. Cartwright
  • Publisher : Royal Society of Chemistry
  • Release : 15 July 2020
GET THIS BOOKMachine Learning in Chemistry

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

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Genetically Modified Crops in Asia Pacific

Genetically Modified Crops in Asia Pacific
  • Author : Mao Chen,G Gujar,Y Andi Trisyono
  • Publisher : CSIRO PUBLISHING
  • Release : 01 February 2021
GET THIS BOOKGenetically Modified Crops in Asia Pacific

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,

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Multiscale Entropy Approaches and Their Applications

Multiscale Entropy Approaches and Their Applications
  • Author : Anne Humeau-Heurtier
  • Publisher : MDPI
  • Release : 06 November 2020
GET THIS BOOKMultiscale Entropy Approaches and Their Applications

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

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Biotechnology

Biotechnology
  • Author : Rolf D. Schmid,Claudia Schmidt-Dannert
  • Publisher : John Wiley & Sons
  • Release : 21 March 2016
GET THIS BOOKBiotechnology

Now presented in large format, the new Schmid is the ideal primer in biotechnology. The two-page layout with one page being a full color figure and the opposite page being explanatory text is the ideal combination between rapid visual-based learning with in depth information.

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Multiscale Approaches to Protein Modeling

Multiscale Approaches to Protein Modeling
  • Author : Andrzej Kolinski
  • Publisher : Springer Science & Business Media
  • Release : 13 October 2010
GET THIS BOOKMultiscale Approaches to Protein Modeling

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

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Biomimetic Approaches in Engineering Practice

Biomimetic Approaches in Engineering Practice
  • Author : Stanislav Kolisnychenko
  • Publisher : Trans Tech Publications Ltd
  • Release : 18 June 2018
GET THIS BOOKBiomimetic Approaches in Engineering Practice

Presented for your attention the special collection “Biomimetic Approaches in Engineering Practice” consists of papers published by Trans Tech Publications Inc. from 2010 up to 2016 and covers a wide range of engineering solutions in the fields of mechanical engineering, materials science, mechatronics, robotics, and architecture, where the principles of bionics were used in the design and research process.

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Handbook of Biomarkers and Precision Medicine

Handbook of Biomarkers and Precision Medicine
  • Author : Claudio Carini,Mark Fidock,Alain van Gool
  • Publisher : CRC Press
  • Release : 16 April 2019
GET THIS BOOKHandbook of Biomarkers and Precision Medicine

"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

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Chemogenomics in Drug Discovery

Chemogenomics in Drug Discovery
  • Author : Hugo Kubinyi,Gerhard Müller
  • Publisher : John Wiley & Sons
  • Release : 06 March 2006
GET THIS BOOKChemogenomics in Drug Discovery

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

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Semantic Breakthrough in Drug Discovery

Semantic Breakthrough in Drug Discovery
  • Author : Bin Chen,Huijun Wang,Ying Ding,David Wild
  • Publisher : Morgan & Claypool Publishers
  • Release : 01 October 2014
GET THIS BOOKSemantic Breakthrough in Drug Discovery

The current drug development paradigm---sometimes expressed as, ``One disease, one target, one drug''---is under question, as relatively few drugs have reached the market in the last two decades. Meanwhile, the research focus of drug discovery is being placed on the study of drug action on biological systems as a whole, rather than on individual components of such systems. The vast amount of biological information about genes and proteins and their modulation by small molecules is pushing drug discovery to its

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Genomics, Circuits, and Pathways in Clinical Neuropsychiatry

Genomics, Circuits, and Pathways in Clinical Neuropsychiatry
  • Author : Thomas Lehner,Bruce L. Miller,Matthew W. State
  • Publisher : Academic Press
  • Release : 07 June 2016
GET THIS BOOKGenomics, Circuits, and Pathways in Clinical Neuropsychiatry

This foundational work comprehensively examines the current state of the genetics, genomics and brain circuitry of psychiatric and neurological disorders. It consolidates discoveries of specific genes and genomic regions associated with these conditions, the genetic and anatomic architecture of these syndromes, and addresses how recent advances in genomics are leading to a reappraisal of the biology underlying clinical neuroscience. In doing so, it critically examines the promise and limitations of these discoveries toward treatment, and to the interdisciplinary nature of

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Pharmacokinetics in Drug Development

Pharmacokinetics in Drug Development
  • Author : Peter L. Bonate,Danny R. Howard
  • Publisher : Springer
  • Release : 06 October 2016
GET THIS BOOKPharmacokinetics in Drug Development

In this volume, the specific challenges and problems facing the evaluation of new oncology agents are explored with regards to pharmacokinetic, pharmacodynamic modeling and clinical pharmacology development strategies. This book delivers, with an emphasis on the oncology therapeutic area, the goals set in the first three volumes: namely – to provide clinical pharmacologists practical insights for the application of pharmacology, pharmacokinetics and pharmacodynamics for new drug development strategies. Pharmacokinetic-pharmacodynamic concepts for tyrosine kinases, the evaluation of cardiac repolarization prolongation through QTc

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Biosimulation in Drug Development

Biosimulation in Drug Development
  • Author : Martin Bertau,Erik Mosekilde,Hans V. Westerhoff
  • Publisher : John Wiley & Sons
  • Release : 08 September 2008
GET THIS BOOKBiosimulation in Drug Development

This first comprehensive survey to cover all pharmaceutically relevant topics provides a comprehensive introduction to this novel and revolutionary tool, presenting both concepts and application examples of biosimulated cells, organs and organisms. Following an introduction to the role of biosimulation in drug development, the authors go on to discuss the simulation of cells and tissues, as well as simulating drug action and effect. A further section is devoted to simulating networks and populations, and the whole is rounded off by

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