In Silico Chemistry And Biology
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In Silico Chemistry And Biology
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Author : Girish Kumar Gupta
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2022-05-09
In Silico Chemistry And Biology written by Girish Kumar Gupta and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-09 with Science categories.
In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and computer-assisted drug design are presented, including fragment- and ligand-based approaches. Many successful practical applications of these techniques are demonstrated. The authors also look to the future and describe the main challenges of the field.
In Silico Medicinal Chemistry
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Author : Nathan Brown
language : en
Publisher: Royal Society of Chemistry
Release Date : 2015-11-02
In Silico Medicinal Chemistry written by Nathan Brown and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-02 with Medical categories.
Exploring the methodologies and applications ofcomputational tools in drug design, this book is a practical introduction to chemoinformatics, molecular modelling and computational chemistry for researchers.
In Silico Drug Discovery And Design
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Author : Claudio N. Cavasotto
language : en
Publisher: CRC Press
Release Date : 2015-08-06
In Silico Drug Discovery And Design written by Claudio N. Cavasotto and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-08-06 with Medical categories.
In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications provides a comprehensive, unified, and in-depth overview of the current methodological strategies in computer-aided drug discovery and design. Its main aims are to introduce the theoretical framework and algorithms, discuss the range of validity, strengths and limita
In Silico Chemistry And Biology
DOWNLOAD
Author : Girish Kumar Gupta
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2022-05-09
In Silico Chemistry And Biology written by Girish Kumar Gupta and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-09 with Science categories.
In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and computer-assisted drug design are presented, including fragment- and ligand-based approaches. Many successful practical applications of these techniques are demonstrated. The authors also look to the future and describe the main challenges of the field.
Computational Biology And Chemistry
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Author : Payam Behzadi
language : en
Publisher: BoD – Books on Demand
Release Date : 2020-12
Computational Biology And Chemistry written by Payam Behzadi and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-12 with Bioinformatics categories.
The use of computers and software tools in biochemistry (biology) has led to a deep revolution in basic sciences and medicine. Bioinformatics and systems biology are the direct results of this revolution. With the involvement of computers, software tools, and internet services in scientific disciplines comprising biology and chemistry, new terms, technologies, and methodologies appeared and established. Bioinformatic software tools, versatile databases, and easy internet access resulted in the occurrence of computational biology and chemistry. Today, we have new types of surveys and laboratories including "in silico studies" and "dry labs" in which bioinformaticians conduct their investigations to gain invaluable outcomes. These features have led to 3-dimensioned illustrations of different molecules and complexes to get a better understanding of nature.
In Silico Toxicology
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Author : Mark T. D. Cronin
language : en
Publisher: Royal Society of Chemistry
Release Date : 2010
In Silico Toxicology written by Mark T. D. Cronin and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010 with Medical categories.
This book defines the use of computational approaches to predict the environmental toxicity and human health effects of organic chemicals.
In Silico Lead Discovery
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Author : Maria A. Miteva
language : en
Publisher: Bentham Science Publishers
Release Date : 2011
In Silico Lead Discovery written by Maria A. Miteva and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with Science categories.
Computer-aided drug design and in silico screening have contributed to the discovery of several compounds that have either reached the market or entered clinical trials. In silico Lead Discovery is a compilation of the efforts of several experts on bioinf
From Medicinal Chemistry To Food Science
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Author : Pietro Cozzini
language : en
Publisher: Nova Science Publishers
Release Date : 2015
From Medicinal Chemistry To Food Science written by Pietro Cozzini and has been published by Nova Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015 with Biochemical engineering categories.
The aim of this book is to illustrate the big opportunity to transfer computational techniques, well accepted and used in medicinal chemistry to food science; through this, we hope to discover new pollutants, possible dangerous food additives, contaminants from industries, xenoestrogens, etc. The paradigm is: if a molecule can interact with a receptor (i.e. a Nuclear Receptor), it can modify the signaling pathway and should be investigated to discover negative effects on food. The interaction can be predicted using in silico techniques well known by medicinal chemists to discover new lead compounds or to study the behavior of a protein ligand interaction. The book starts with an introduction about the computational methods applied to food safety by authors coming from a big food company, who elucidate the importance of this approach for industries and food agencies. In Chapter Two, the authors give an overview of in vivo tests for food contaminant and toxin evaluation. In Chapter Three, in vitro and in silico models of digestion are compared. In Chapter Four, the authors, belonging both to an in silico lab and a wet lab use a case study of poliphenols to show how to merge in silico prediction and in vitro controls to gain time and money in estrogen receptors. Additionally, poliphenol binding studies use a molecule modeling approach. In Chapter Five, a non-typical docking approach is presented: a reverse docking approach. Chapter Six and Seven introduce the problem of receptor flexibility and how to treat this important characteristic that must be considered in computational simulations. Chapter Eight is a review about QSAR methods well considered in this approach. Chapter Nine show a non-conventional informatics approach to ab initio in silico protein structure prediction. The last chapter is dedicated to the informatics requirements for in silico simulations to help researchers approaching this field.
In Silico Technologies In Drug Target Identification And Validation
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Author : Darryl Leon
language : en
Publisher: CRC Press
Release Date : 2006-06-13
In Silico Technologies In Drug Target Identification And Validation written by Darryl Leon and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-06-13 with Medical categories.
The pharmaceutical industry relies on numerous well-designed experiments involving high-throughput techniques and in silico approaches to analyze potential drug targets. These in silico methods are often predictive, yielding faster and less expensive analyses than traditional in vivo or in vitro procedures. In Silico Technologies in Drug Target Ide
Frontiers In Computational Chemistry Volume 1
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Author : Zaheer Ul-Haq
language : en
Publisher: Elsevier
Release Date : 2015-12-14
Frontiers In Computational Chemistry Volume 1 written by Zaheer Ul-Haq and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-12-14 with Science categories.
Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. In Volume 1, the leading researchers in the field have collected eight different perspectives in the application of computational methods towards drug design to provide an up-to-date rendering of the current field. This volume covers a variety of topics from G protein-coupled receptors, to the use of cheminformatics and bioinformatics, computational tools such as Molecular Mechanics Poisson-Boltzmann Surface Area, protein-protein interactions, the use of computational methods on large biological data sets, various computational methods used to identify pharmaceutically relevant targets, and more. Brings together a wide range of research into a single collection to help researchers keep up with new methods Uniquely focuses on computational chemistry approaches that can accelerate drug design Makes a solid connection between experiment and computation and the novel application of computational methods in the fields of biology, chemistry, biochemistry, physics, and biophysics, with particular focus on the integration of computational methods with experimental data