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Computational Modelling Of The Human Islet Amyloid Polypeptide
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Book Synopsis Computational Modelling of the Human Islet Amyloid Polypeptide by : Katrine Kirkeby Skeby
Download or read book Computational Modelling of the Human Islet Amyloid Polypeptide written by Katrine Kirkeby Skeby and published by Springer. This book was released on 2016-05-27 with total page 118 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis offers readers a comprehensive introduction to amyloid proteins and the computational methods used with them. Katrine Skeby critically assesses and compares both the literature and the experiments performed by other researchers, which further elevates the quality and relevance of her own work. Amyloid proteins are highly complex, and this research provides unparalleled insights, especially with regard to the origin of cytotoxicity and to developing technologies for early detection, revealing in detail the molecular mechanisms behind hIAPP behavior. Several studies within the thesis answer difficult questions which promote future research into the properties of amyloid proteins.
Book Synopsis Computational Modeling of Biological Systems by : Nikolay V Dokholyan
Download or read book Computational Modeling of Biological Systems written by Nikolay V Dokholyan and published by Springer Science & Business Media. This book was released on 2012-02-12 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational modeling is emerging as a powerful new approach to study and manipulate biological systems. Multiple methods have been developed to model, visualize, and rationally alter systems at various length scales, starting from molecular modeling and design at atomic resolution to cellular pathways modeling and analysis. Higher time and length scale processes, such as molecular evolution, have also greatly benefited from new breeds of computational approaches. This book provides an overview of the established computational methods used for modeling biologically and medically relevant systems.
Book Synopsis Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly by :
Download or read book Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly written by and published by Academic Press. This book was released on 2020-03-18 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly, Volume 170 in the Progress in Molecular Biology and Translational Science series, provides the most topical, informative and exciting monographs available on a wide variety of research topics. The series includes in-depth knowledge on the molecular biological aspects of organismal physiology, with this release including chapters on Pairwise-Additive and Polarizable Atomistic Force Fields for Molecular Dynamics Simulations of Proteins, Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers, Enhanced sampling and free energy methods, and much more. Includes comprehensive coverage on molecular biology Presents ample use of tables, diagrams, schemata and color figures to enhance the reader's ability to rapidly grasp the information provided Contains contributions from renowned experts in the field
Book Synopsis Computational Methods for Protein Structure Prediction and Modeling by : Ying Xu
Download or read book Computational Methods for Protein Structure Prediction and Modeling written by Ying Xu and published by Springer Science & Business Media. This book was released on 2007-08-24 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume One of this two-volume sequence focuses on the basic characterization of known protein structures, and structure prediction from protein sequence information. Eleven chapters survey of the field, covering key topics in modeling, force fields, classification, computational methods, and structure prediction. Each chapter is a self contained review covering definition of the problem and historical perspective; mathematical formulation; computational methods and algorithms; performance results; existing software; strengths, pitfalls, challenges, and future research.
Book Synopsis Computer-Aided Drug Design: Drug Discovery, Computational Modelling, and Artificial Intelligence by : Fei Ye
Download or read book Computer-Aided Drug Design: Drug Discovery, Computational Modelling, and Artificial Intelligence written by Fei Ye and published by Frontiers Media SA. This book was released on 2022-08-17 with total page 205 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Combining Simulations, Theory, and Experiments into Multiscale Models of Biological Events by : Fabio Trovato
Download or read book Combining Simulations, Theory, and Experiments into Multiscale Models of Biological Events written by Fabio Trovato and published by Frontiers Media SA. This book was released on 2022-01-11 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Type 2 Diabetes by : Anthony Barnett
Download or read book Type 2 Diabetes written by Anthony Barnett and published by Oxford University Press. This book was released on 2012-10-25 with total page 175 pages. Available in PDF, EPUB and Kindle. Book excerpt: This second edition has been updated throughout to aacount for the latest trial data, including new chapters on pathophysiology, and interpretation of recent clinical trials. This pocketbook is a concise, practical guide to the diagnosis, assessment and management of Type 2 Diabetes aimed at clinicians, GPs and nurse specialists.
Book Synopsis Frontiers in Computational Chemistry: Volume 6 by : Zaheer Ul-Haq
Download or read book Frontiers in Computational Chemistry: Volume 6 written by Zaheer Ul-Haq and published by Bentham Science Publishers. This book was released on 2022-09-08 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: 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. The sixth volume of this series features these six different perspectives on the application of computational chemistry in rational drug design: 1. Computer-aided molecular design in computational chemistry 2. The role of ensemble conformational sampling using molecular docking & dynamics in drug discovery 3. Molecular dynamics applied to discover antiviral agents 4. Pharmacophore modeling approach in drug discovery against the tropical infectious disease malaria 5. Advances in computational network pharmacology for Traditional Chinese Medicine (TCM) research 6. Progress in electronic-structure based computational methods: from small molecules to large molecular systems of biological significance
Book Synopsis Exploring Computational Pharmaceutics by : Defang Ouyang
Download or read book Exploring Computational Pharmaceutics written by Defang Ouyang and published by John Wiley & Sons. This book was released on 2024-11-12 with total page 629 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides an extensive and up-to-date overview of the theory and application of computational pharmaceutics in the drug development process Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0 introduces a variety of current and emerging computational techniques for pharmaceutical research. Bringing together experts from academia, industry, and regulatory agencies, this edited volume also explores the current state, key challenges, and future outlook of computational pharmaceutics while encouraging development across all sectors of the field. Throughout the text, the authors discuss a wide range of essential topics, from molecular modeling and process simulation to intelligent manufacturing and quantitative pharmacology. Building upon Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0, this new edition provides a multi-scale perspective that reveals the physical, chemical, mathematical, and data-driven details of pre-formulation, formulation, process, and clinical studies, in addition to in vivo prediction in the human body and precision medicine in clinical settings. Detailed chapters address both conventional dosage forms and the application of computational technologies in advanced pharmaceutical research, such as dendrimer-based delivery systems, liposome and lipid membrane research, and inorganic nanoparticles. A major contribution to the development and promotion of computational pharmaceutics, this important resource: Discusses the development track, achievements, and prospects of computational pharmaceutics Presents multidisciplinary research to help physicists, chemists, mathematicians, and computer scientists locate problems in the field of drug delivery Covers a wide range of technologies, including complex formulations for water-insoluble drugs, protein/peptide formulations, nanomedicine, and gene delivery systems Focuses on the application of cutting-edge computational technologies and intelligent manufacturing of emerging pharmaceutical technologies Includes a systematic overview of computational pharmaceutics and Pharma 4.0 to assist non-specialist readers Covering introductory, advanced, and specialist topics, Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0 is an invaluable resource for computational chemists, computational analysts, pharmaceutical chemists, process engineers, process managers, and pharmacologists, as well as computer scientists, medicinal chemists, clinical pharmacists, material scientists, and nanotechnology specialists working in the field.
Download or read book Diabetes written by R. D. G. Leslie and published by Cambridge University Press. This book was released on 1995-03-09 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: This significant new publication provides a summary and overview of the most recent scientific advances in diabetes research, and highlights the role of these developments in advancing clinical practice. Diabetes is one of the major causes of morbidity and mortality in the developed world, and its prevalence elsewhere is on the increase. It affects in excess of 100 million people worldwide. Recent scientific advances have clarified our understanding of the causes and consequences of this devastating disease. These scientific developments are playing an increasingly important role in clinical practice and could well lead the way to the prevention of complications and even a cure for the disease. An international and authoritative team of authors draws together this knowledge and the most recent developments to provide an up to date account which will benefit researchers and clinicians.
Book Synopsis Molecular Dynamics of Monomeric IAPP in Solution: A Study of IAPP in Water at the Percolation Transition by : Maximilian Andrews
Download or read book Molecular Dynamics of Monomeric IAPP in Solution: A Study of IAPP in Water at the Percolation Transition written by Maximilian Andrews and published by diplom.de. This book was released on 2014-10-01 with total page 143 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biological activity for most living organisms is at its highest where the percolation transition occurs; hence, finding such temperature range was of utmost importance. After having found such temperature interval, i.e., between 310K and 330K, conformational studies were performed on full-length human and rat islet amyloid polypeptide, hIAPP and rIAPP respectively, by MD simulations both for the reduced and oxidized IAPP moieties. Studying the monomeric forms of two very similar polypetides that present different amyloidogenic properties could shed light on the aggregation mechanism of human islet amyloid polypeptide; in fact, after hundreds of nanoseconds, above the percolation transition temperature, oxidized hIAPP 'folded”'into a compact structure that was about 10% smaller than the average value of the radius of gyration. Further studies were carried out on some in silico mutated hIAPP moieties in order to pinpoint key residues involved in the 'folding' of hIAPP. Three conditions were needed in order to observe this compact state: the presence of the disulfide bond; the absence of the P28 residue, found in rat IAPP; presence of aromatic residues, in particular F23.
Book Synopsis Transactions on Computational Science XXII by : Marina Gavrilova
Download or read book Transactions on Computational Science XXII written by Marina Gavrilova and published by Springer. This book was released on 2014-01-29 with total page 181 pages. Available in PDF, EPUB and Kindle. Book excerpt: This, the 22nd issue of the Transactions on Computational Science journal, consists of two parts. The first part is devoted to neural and social networks and the second to geometric modeling and simulation. The four papers in Part I span the areas of information-driven online social networks, neural networks, collaborative memories, and stability controls in multi-agent networked environments. The four papers in Part II cover the topics of shape reconstruction from planar contours, sharp feature preservation through wavelets, protein structure determination based on the beta-complex, and fast empty volume computation in molecular systems.
Book Synopsis Molecular Modeling at the Atomic Scale by : Ruhong Zhou
Download or read book Molecular Modeling at the Atomic Scale written by Ruhong Zhou and published by CRC Press. This book was released on 2014-08-21 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Although molecular modeling has been around for a while, the groundbreaking advancement of massively parallel supercomputers and novel algorithms for parallelization is shaping this field into an exciting new area. Developments in molecular modeling from experimental and computational techniques have enabled a wide range of biological applications. Responding to this renaissance, Molecular Modeling at the Atomic Scale: Methods and Applications in Quantitative Biology includes discussions of advanced techniques of molecular modeling and the latest research advancements in biomolecular applications from leading experts. The book begins with a brief introduction of major methods and applications, then covers the development of cutting-edge methods/algorithms, new polarizable force fields, and massively parallel computing techniques, followed by descriptions of how these novel techniques can be applied in various research areas in molecular biology. It also examines the self-assembly of biomacromolecules, including protein folding, RNA folding, amyloid peptide aggregation, and membrane lipid bilayer formation. Additional topics highlight biomolecular interactions, including protein interactions with DNA/RNA, membrane, ligands, and nanoparticles. Discussion of emerging topics in biomolecular modeling such as DNA sequencing with solid-state nanopores and biological water under nanoconfinement round out the coverage. This timely summary contains the perspectives of leading experts on this transformation in molecular biology and includes state-of-the-art examples of how molecular modeling approaches are being applied to critical questions in modern quantitative biology. It pulls together the latest research and applications of molecular modeling and real-world expertise that can boost your research and development of applications in this rapidly changing field.
Book Synopsis Strategies and Tools for Modulating Pathologic Protein Self-Assembly in Proteinopathies by : Gal Bitan
Download or read book Strategies and Tools for Modulating Pathologic Protein Self-Assembly in Proteinopathies written by Gal Bitan and published by Frontiers Media SA. This book was released on 2022-08-16 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Simulations in Nanobiotechnology by : Kilho Eom
Download or read book Simulations in Nanobiotechnology written by Kilho Eom and published by CRC Press. This book was released on 2011-10-19 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: Until the late 20th century, computational studies of biomolecules and nanomaterials had considered the two subjects separately. A thorough presentation of state-of-the-art simulations for studying the nanoscale behavior of materials, Simulations in Nanobiotechnology discusses computational simulations of biomolecules and nanomaterials together. Th
Book Synopsis Properties and Functionalization of Graphene by : Dinadayalane Tandabany
Download or read book Properties and Functionalization of Graphene written by Dinadayalane Tandabany and published by Elsevier. This book was released on 2022-05-10 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Properties and Functionalization of Graphene: Computational Chemistry Approaches, Volume 21 shows how computational chemistry can be used to explore molecular interactions when modeling and manipulating graphene's properties for varied applications. Sections compare results and experimental evidence, cover the experimental techniques employed in the functionalization of graphene and associated challenges, and delve into the properties of functionalized graphene. Under the guidance of its expert editor, this book shares insights from a global team of specialists, making it an authoritative, practical guide for all those studying, developing or applying graphene across a whole range of fields. Provides practical insights into the latest computational approaches used in modeling the properties of functionalized graphene Includes detailed methods and step-by-step guidance on key processes that are supported throughout with examples Highlights the electronic properties of functionalized graphene
Book Synopsis Computational Structural Biology by : Manuel Claude Peitsch
Download or read book Computational Structural Biology written by Manuel Claude Peitsch and published by World Scientific. This book was released on 2008 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work covers the impact of computational structural biology on protein structure prediction methods, macromolecular function and protein design, and key methods in drug discovery. It also addresses the computational challenges of experimental approaches in structural biology.
