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Protein Modelling

Protein Modelling PDF Author: Andrew Gamble
Publisher: Springer
ISBN: 3319099760
Category : Science
Languages : en
Pages : 332

Book Description
In this volume, a detailed description of cutting-edge computational methods applied to protein modeling as well as specific applications are presented. Chapters include: the application of Car-Parrinello techniques to enzyme mechanisms, the outline and application of QM/MM methods, polarizable force fields, recent methods of ligand docking, molecular dynamics related to NMR spectroscopy, computer optimization of absorption, distribution, metabolism and excretion extended by toxicity for drugs, enzyme design and bioinformatics applied to protein structure prediction. A keen emphasis is laid on the clear presentation of complex concepts, since the book is primarily aimed at Ph.D. students, who need an insight in up-to-date protein modeling. The inclusion of descriptive, color figures will allow the reader to get a pictorial representation of complicated structural issues.

Protein Modelling

Protein Modelling PDF Author: Andrew Gamble
Publisher: Springer
ISBN: 3319099760
Category : Science
Languages : en
Pages : 332

Book Description
In this volume, a detailed description of cutting-edge computational methods applied to protein modeling as well as specific applications are presented. Chapters include: the application of Car-Parrinello techniques to enzyme mechanisms, the outline and application of QM/MM methods, polarizable force fields, recent methods of ligand docking, molecular dynamics related to NMR spectroscopy, computer optimization of absorption, distribution, metabolism and excretion extended by toxicity for drugs, enzyme design and bioinformatics applied to protein structure prediction. A keen emphasis is laid on the clear presentation of complex concepts, since the book is primarily aimed at Ph.D. students, who need an insight in up-to-date protein modeling. The inclusion of descriptive, color figures will allow the reader to get a pictorial representation of complicated structural issues.

In-Silico Lead Discovery

In-Silico Lead Discovery PDF Author: Maria A. Miteva
Publisher: Bentham Science Publishers
ISBN: 1608051420
Category : Science
Languages : en
Pages : 201

Book Description
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

Applying Big Data Analytics in Bioinformatics and Medicine

Applying Big Data Analytics in Bioinformatics and Medicine PDF Author: Lytras, Miltiadis D.
Publisher: IGI Global
ISBN: 1522526080
Category : Computers
Languages : en
Pages : 492

Book Description
Many aspects of modern life have become personalized, yet healthcare practices have been lagging behind in this trend. It is now becoming more common to use big data analysis to improve current healthcare and medicinal systems, and offer better health services to all citizens. Applying Big Data Analytics in Bioinformatics and Medicine is a comprehensive reference source that overviews the current state of medical treatments and systems and offers emerging solutions for a more personalized approach to the healthcare field. Featuring coverage on relevant topics that include smart data, proteomics, medical data storage, and drug design, this publication is an ideal resource for medical professionals, healthcare practitioners, academicians, and researchers interested in the latest trends and techniques in personalized medicine.

Biotechnology: Concepts, Methodologies, Tools, and Applications

Biotechnology: Concepts, Methodologies, Tools, and Applications PDF Author: Management Association, Information Resources
Publisher: IGI Global
ISBN: 152258904X
Category : Science
Languages : en
Pages : 2220

Book Description
Biotechnology can be defined as the manipulation of biological process, systems, and organisms in the production of various products. With applications in a number of fields such as biomedical, chemical, mechanical, and civil engineering, research on the development of biologically inspired materials is essential to further advancement. Biotechnology: Concepts, Methodologies, Tools, and Applications is a vital reference source for the latest research findings on the application of biotechnology in medicine, engineering, agriculture, food production, and other areas. It also examines the economic impacts of biotechnology use. Highlighting a range of topics such as pharmacogenomics, biomedical engineering, and bioinformatics, this multi-volume book is ideally designed for engineers, pharmacists, medical professionals, practitioners, academicians, and researchers interested in the applications of biotechnology.

Aptamers

Aptamers PDF Author: Julian Alexander Tanner
Publisher: MDPI
ISBN: 303897059X
Category : Science
Languages : en
Pages : 301

Book Description
This book is a printed edition of the Special Issue " Aptamers" that was published in IJMS

Tropical Diseases: An Overview of Major Diseases Occurring in the Americas

Tropical Diseases: An Overview of Major Diseases Occurring in the Americas PDF Author: Milena de Paiva Cavalcanti
Publisher: Bentham Science Publishers
ISBN: 1681085879
Category : Science
Languages : en
Pages : 531

Book Description
Tropical Diseases: An Overview of Major Diseases Occurring in the Americas offers an overview of neglected tropical diseases found in the Americas. Information in the book addresses the understanding of challenges faced in controlling these diseases and brings new insight on many important aspects of these diseases. Chapters of this volume explore many related topics, including epidemiological data, immune response and pathogenesis, and the current methods for diagnosis and treatment, thus providing a useful resource for readers (undergraduate, graduate and Ph.D. students as well as biologists and medical researchers).

Sustainable Green Catalytic Processes

Sustainable Green Catalytic Processes PDF Author: Mousumi Sen
Publisher: John Wiley & Sons
ISBN: 1394212550
Category : Science
Languages : en
Pages : 564

Book Description
Did you know that 95% of chemicals in industry are synthesized using catalysts? Sustainable Green Catalytic Processes offer concise descriptions of the application of catalysts in orchestrating eco-friendly transformation. These catalysts have enhanced selectivity for desired products while minimizing the creation of unwanted products. The book aims to present a collection of chapters related to green synthesis and methodologies and their applications in catalysis. These approaches have garnered attention from scientists in developing sustainable catalyst protocols that are environmentally greener and eco-friendly. This book aims to present a collection of chapters related to green synthesis and methodologies to motivate biochemists and engineers to provide a more sustainable environmental process. The first chapter focuses on the creation of ecologically friendly chemical processes. Another chapter frames the recent advances in heterogeneous photocatalysis and its applications. The book gives insights into the mechanisms underlying the total synthesis and functionalization of natural products through light-driven reactions. It reflects the new challenges as the chemical industry transitions to environmentally friendly and sustainable chemistry.

Biosensing and Micro-Nano Devices

Biosensing and Micro-Nano Devices PDF Author: Pranjal Chandra
Publisher: Springer Nature
ISBN: 9811683336
Category : Technology & Engineering
Languages : en
Pages : 365

Book Description
This book reviews applications of nanomaterial and nanodevices in the food industry. It also discusses the advanced bioanalytical techniques, including Enzyme-Linked Immunosorbent Assay (ELISA), immunoanalytical techniques, and monoclonal antibody-based immunological techniques for detecting food adulterations and allergens. It comprehensively covers electrode modification and nano-engineered fabrication of biosensors to enhance their functionalities for utilization in food industries. The book highlights the utilization of nanobiosensors for food safety and quality analysis, such as detection of toxin, food-borne pathogen, allergen, evaluation of toxicity etc. Further, it also summarizes the recent advances in nanodevices such as nano-systems, nano-emulsions, nanopesticides, and nanocapsules and their applications in the food industry. Lastly, it covers nanomaterial-based sensors for drug analysis in diverse matrices. It serves as an invaluable source of information for professionals, researchers, academicians, and students related to food science and technology.

Virtual Screening

Virtual Screening PDF Author: Christoph Sotriffer
Publisher: John Wiley & Sons
ISBN: 3527633340
Category : Medical
Languages : en
Pages : 774

Book Description
Drug discovery is all about finding small molecules that interact in a desired way with larger molecules, namely proteins and other macromolecules in the human body. If the three-dimensional structures of both the small and large molecule are known, their interaction can be tested by computer simulation with a reasonable degree of accuracy. Alternatively, if active ligands are already available, molecular similarity searches can be used to find new molecules. This virtual screening can even be applied to compounds that have yet to be synthesized, as opposed to "real" screening that requires cost- and labor-intensive laboratory testing with previously synthesized drug compounds. Unique in its focus on the end user, this is a real "how to" book that does not presuppose prior experience in virtual screening or a background in computational chemistry. It is both a desktop reference and practical guide to virtual screening applications in drug discovery, offering a comprehensive and up-to-date overview. Clearly divided into four major sections, the first provides a detailed description of the methods required for and applied in virtual screening, while the second discusses the most important challenges in order to improve the impact and success of this technique. The third and fourth, practical parts contain practical guidelines and several case studies covering the most important scenarios for new drug discovery, accompanied by general guidelines for the entire workflow of virtual screening studies. Throughout the text, medicinal chemists from academia, as well as from large and small pharmaceutical companies report on their experience and pass on priceless practical advice on how to make best use of these powerful methods.

High-Performance Modelling and Simulation for Big Data Applications

High-Performance Modelling and Simulation for Big Data Applications PDF Author: Joanna Kołodziej
Publisher: Springer
ISBN: 3030162729
Category : Computers
Languages : en
Pages : 364

Book Description
This open access book was prepared as a Final Publication of the COST Action IC1406 “High-Performance Modelling and Simulation for Big Data Applications (cHiPSet)“ project. Long considered important pillars of the scientific method, Modelling and Simulation have evolved from traditional discrete numerical methods to complex data-intensive continuous analytical optimisations. Resolution, scale, and accuracy have become essential to predict and analyse natural and complex systems in science and engineering. When their level of abstraction raises to have a better discernment of the domain at hand, their representation gets increasingly demanding for computational and data resources. On the other hand, High Performance Computing typically entails the effective use of parallel and distributed processing units coupled with efficient storage, communication and visualisation systems to underpin complex data-intensive applications in distinct scientific and technical domains. It is then arguably required to have a seamless interaction of High Performance Computing with Modelling and Simulation in order to store, compute, analyse, and visualise large data sets in science and engineering. Funded by the European Commission, cHiPSet has provided a dynamic trans-European forum for their members and distinguished guests to openly discuss novel perspectives and topics of interests for these two communities. This cHiPSet compendium presents a set of selected case studies related to healthcare, biological data, computational advertising, multimedia, finance, bioinformatics, and telecommunications.