Exploring Higher Accuracy Poisson Boltzmann Methods For Biomolecular Simulations

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Encyclopedia of Biocolloid and Biointerface Science, 2 Volume Set

Author : Hiroyuki Ohshima
Publisher : John Wiley & Sons
ISBN 13 : 1118542762
Total Pages : 1188 pages
Book Rating : 4.1/5 (185 download)

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Book Synopsis Encyclopedia of Biocolloid and Biointerface Science, 2 Volume Set by : Hiroyuki Ohshima

Download or read book Encyclopedia of Biocolloid and Biointerface Science, 2 Volume Set written by Hiroyuki Ohshima and published by John Wiley & Sons. This book was released on 2016-09-26 with total page 1188 pages. Available in PDF, EPUB and Kindle. Book excerpt: Diese Enzyklopädie konzentriert sich einzig und allein auf Biokolloide und Biogrenzflächen. Hauptthema sind nicht die wissenschaftlichen Aspekte rund um Kolloide und Grenzflächen. Mit Biokolloiden und Biogrenzflächen beschäftigen sich immer mehr Wissenschaftler, und in dieser Enzyklopädie werden zur Untersuchung von Phänomen in biologischen Systemen "weiche Partikel" und "weiche Grenzflächen" als Oberflächenmodelle herangezogen. - Beschreibt detailliert die grundlegenden Theorien und erläutert die physikalisch-chemischen und theoretischen Aspekte der Biokolloid- und Biogrenzflächenwissenschaft. - Beinhaltet auch eine ausführliche Beschreibung der weichen Grenzflächen und Oberflächen - Beschäftigt sich ebenfalls mit Anwendungen der Grundlagentheorien von Biokolloiden und Biogrenzflächen auf die Nano-, Bio- und Umweltwissenschaften. Ein nützliches Nachschlagewerk genau zur richtigen Zeit, für Forscher und Absolventen im Bereich der Biokolloid- und Biogrenzflächenwissenschaft sowie für Ingenieure der Fachrichtungen.

Innovations in Biomolecular Modeling and Simulations

Author : Tamar Schlick
Publisher : Royal Society of Chemistry
ISBN 13 : 1849734623
Total Pages : 355 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Innovations in Biomolecular Modeling and Simulations by : Tamar Schlick

Download or read book Innovations in Biomolecular Modeling and Simulations written by Tamar Schlick and published by Royal Society of Chemistry. This book was released on 2012 with total page 355 pages. Available in PDF, EPUB and Kindle. Book excerpt: This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.

Hybrid Biomolecular Modeling

Author : Slavica Jonic
Publisher : Frontiers Media SA
ISBN 13 : 2889456994
Total Pages : 128 pages
Book Rating : 4.8/5 (894 download)

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Book Synopsis Hybrid Biomolecular Modeling by : Slavica Jonic

Download or read book Hybrid Biomolecular Modeling written by Slavica Jonic and published by Frontiers Media SA. This book was released on 2019-01-24 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt: Models of biomolecular structure and dynamics are often obtained by combining simulation or prediction approaches (e.g., comparative modeling, Molecular Dynamics (MD) simulations, Normal Mode Analysis (NMA), etc.) with experimental approaches (e.g., Nuclear Magnetic Resonance (NMR), X-ray crystallography, Small-Angle X-ray Scattering (SAXS), Electron Microscopy (EM), etc.). Such hybrid modeling extends the capabilities of experimental techniques, by enriching structural information and facilitating dynamics studies of biomolecules. This eBook contains articles on methodological developments, applications, and challenges of hybrid biomolecular modeling that have been collected in the framework of the Frontiers Research Topic entitled “Hybrid Biomolecular Modeling”.

Biomolecular Simulations in Structure-Based Drug Discovery

Author : Francesco L. Gervasio
Publisher : John Wiley & Sons
ISBN 13 : 3527342656
Total Pages : 368 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Biomolecular Simulations in Structure-Based Drug Discovery by : Francesco L. Gervasio

Download or read book Biomolecular Simulations in Structure-Based Drug Discovery written by Francesco L. Gervasio and published by John Wiley & Sons. This book was released on 2019-04-29 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: A guide to applying the power of modern simulation tools to better drug design Biomolecular Simulations in Structure-based Drug Discovery offers an up-to-date and comprehensive review of modern simulation tools and their applications in real-life drug discovery, for better and quicker results in structure-based drug design. The authors describe common tools used in the biomolecular simulation of drugs and their targets and offer an analysis of the accuracy of the predictions. They also show how to integrate modeling with other experimental data. Filled with numerous case studies from different therapeutic fields, the book helps professionals to quickly adopt these new methods for their current projects. Experts from the pharmaceutical industry and academic institutions present real-life examples for important target classes such as GPCRs, ion channels and amyloids as well as for common challenges in structure-based drug discovery. Biomolecular Simulations in Structure-based Drug Discovery is an important resource that: -Contains a review of the current generation of biomolecular simulation tools that have the robustness and speed that allows them to be used as routine tools by non-specialists -Includes information on the novel methods and strategies for the modeling of drug-target interactions within the framework of real-life drug discovery and development -Offers numerous illustrative case studies from a wide-range of therapeutic fields -Presents an application-oriented reference that is ideal for those working in the various fields Written for medicinal chemists, professionals in the pharmaceutical industry, and pharmaceutical chemists, Biomolecular Simulations in Structure-based Drug Discovery is a comprehensive resource to modern simulation tools that complement and have the potential to complement or replace laboratory assays for better results in drug design.

Structural Bioinformatics: Applications in Preclinical Drug Discovery Process

Author : C. Gopi Mohan
Publisher : Springer
ISBN 13 : 3030052826
Total Pages : 414 pages
Book Rating : 4.0/5 (3 download)

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Book Synopsis Structural Bioinformatics: Applications in Preclinical Drug Discovery Process by : C. Gopi Mohan

Download or read book Structural Bioinformatics: Applications in Preclinical Drug Discovery Process written by C. Gopi Mohan and published by Springer. This book was released on 2019-01-10 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews the advances and challenges of structure-based drug design in the preclinical drug discovery process, addressing various diseases, including malaria, tuberculosis and cancer. Written by internationally recognized researchers, this edited book discusses how the application of the various in-silico techniques, such as molecular docking, virtual screening, pharmacophore modeling, molecular dynamics simulations, and residue interaction networks offers insights into pharmacologically active novel molecular entities. It presents a clear concept of the molecular mechanism of different drug targets and explores methods to help understand drug resistance. In addition, it includes chapters dedicated to natural-product- derived medicines, combinatorial drug discovery, the CryoEM technique for structure-based drug design and big data in drug discovery. The book offers an invaluable resource for graduate and postgraduate students, as well as for researchers in academic and industrial laboratories working in the areas of chemoinformatics, medicinal and pharmaceutical chemistry and pharmacoinformatics.

Comprehensive Foodomics

Author :
Publisher : Elsevier
ISBN 13 : 0128163968
Total Pages : 2444 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Comprehensive Foodomics by :

Download or read book Comprehensive Foodomics written by and published by Elsevier. This book was released on 2020-11-12 with total page 2444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Foodomics, Three Volume Set offers a definitive collection of over 150 articles that provide researchers with innovative answers to crucial questions relating to food quality, safety and its vital and complex links to our health. Topics covered include transcriptomics, proteomics, metabolomics, genomics, green foodomics, epigenetics and noncoding RNA, food safety, food bioactivity and health, food quality and traceability, data treatment and systems biology. Logically structured into 10 focused sections, each article is authored by world leading scientists who cover the whole breadth of Omics and related technologies, including the latest advances and applications. By bringing all this information together in an easily navigable reference, food scientists and nutritionists in both academia and industry will find it the perfect, modern day compendium for frequent reference. List of sections and Section Editors: Genomics - Olivia McAuliffe, Dept of Food Biosciences, Moorepark, Fermoy, Co. Cork, Ireland Epigenetics & Noncoding RNA - Juan Cui, Department of Computer Science & Engineering, University of Nebraska-Lincoln, Lincoln, NE Transcriptomics - Robert Henry, Queensland Alliance for Agriculture and Food Innovation, The University of Queensland, St Lucia, Australia Proteomics - Jens Brockmeyer, Institute of Biochemistry and Technical Biochemistry, University Stuttgart, Germany Metabolomics - Philippe Schmitt-Kopplin, Research Unit Analytical BioGeoChemistry, Neuherberg, Germany Omics data treatment, System Biology and Foodomics - Carlos Leon Canseco, Visiting Professor, Biomedical Engineering, Universidad Carlos III de Madrid Green Foodomics - Elena Ibanez, Foodomics Lab, CIAL, CSIC, Madrid, Spain Food safety and Foodomics - Djuro Josic, Professor Medicine (Research) Warren Alpert Medical School, Brown University, Providence, RI, USA & Sandra Kraljevic Pavelic, University of Rijeka, Department of Biotechnology, Rijeka, Croatia Food Quality, Traceability and Foodomics - Daniel Cozzolino, Centre for Nutrition and Food Sciences, The University of Queensland, Queensland, Australia Food Bioactivity, Health and Foodomics - Miguel Herrero, Department of Bioactivity and Food Analysis, Foodomics Lab, CIAL, CSIC, Madrid, Spain Brings all relevant foodomics information together in one place, offering readers a ‘one-stop,’ comprehensive resource for access to a wealth of information Includes articles written by academics and practitioners from various fields and regions Provides an ideal resource for students, researchers and professionals who need to find relevant information quickly and easily Includes content from high quality authors from across the globe

Computational Electrostatics for Biological Applications

Author : Walter Rocchia
Publisher : Springer
ISBN 13 : 3319122118
Total Pages : 311 pages
Book Rating : 4.3/5 (191 download)

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Book Synopsis Computational Electrostatics for Biological Applications by : Walter Rocchia

Download or read book Computational Electrostatics for Biological Applications written by Walter Rocchia and published by Springer. This book was released on 2014-11-29 with total page 311 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents established and new approaches to perform calculations of electrostatic interactions at the nanoscale, with particular focus on molecular biology applications. It is based on the proceedings of the Computational Electrostatics for Biological Applications international meeting, which brought together researchers in computational disciplines to discuss and explore diverse methods to improve electrostatic calculations. Fostering an interdisciplinary approach to the description of complex physical and biological problems, this book encompasses contributions originating in the fields of geometry processing, shape modeling, applied mathematics, and computational biology and chemistry. The main topics covered are theoretical and numerical aspects of the solution of the Poisson-Boltzmann equation, surveys and comparison among geometric approaches to the modelling of molecular surfaces and related discretization and computational issues. It also includes a number of contributions addressing applications in biology, biophysics and nanotechnology. The book is primarily intended as a reference for researchers in the computational molecular biology and chemistry fields. As such, it also aims at becoming a key source of information for a wide range of scientists who need to know how modeling and computing at the molecular level may influence the design and interpretation of their experiments.

Free Energy Calculations

Author : Christophe Chipot
Publisher : Springer Science & Business Media
ISBN 13 : 3540384472
Total Pages : 528 pages
Book Rating : 4.5/5 (43 download)

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Book Synopsis Free Energy Calculations by : Christophe Chipot

Download or read book Free Energy Calculations written by Christophe Chipot and published by Springer Science & Business Media. This book was released on 2007-01-08 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.

Computational Modeling And Simulations Of Biomolecular Systems

Author : Benoit Roux
Publisher : World Scientific
ISBN 13 : 9811232776
Total Pages : 209 pages
Book Rating : 4.8/5 (112 download)

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Book Synopsis Computational Modeling And Simulations Of Biomolecular Systems by : Benoit Roux

Download or read book Computational Modeling And Simulations Of Biomolecular Systems written by Benoit Roux and published by World Scientific. This book was released on 2021-08-23 with total page 209 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook originated from the course 'Simulation, Modeling, and Computations in Biophysics' that I have taught at the University of Chicago since 2011. The students typically came from a wide range of backgrounds, including biology, physics, chemistry, biochemistry, and mathematics, and the course was intentionally adapted for senior undergraduate students and graduate students. This is not a highly technical book dedicated to specialists. The objective is to provide a broad survey from the physical description of a complex molecular system at the most fundamental level, to the type of phenomenological models commonly used to represent the function of large biological macromolecular machines.The key conceptual elements serving as building blocks in the formulation of different levels of approximations are introduced along the way, aiming to clarify as much as possible how they are interrelated. The only assumption is a basic familiarity with simple mathematics (calculus and integrals, ordinary differential equations, matrix linear algebra, and Fourier-Laplace transforms).

Molecular Machines

Author : Benoit Roux
Publisher : World Scientific
ISBN 13 : 9814460664
Total Pages : 288 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Molecular Machines by : Benoit Roux

Download or read book Molecular Machines written by Benoit Roux and published by World Scientific. This book was released on 2011-08-12 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular machines are complex biomolecules, proteins, nucleic acids, and carbohydrates that consume energy in order to perform specific functions. The concerted action of all those machines underlies all the activities of the living cell. To understand how such molecular machines are able to perform their function, it is necessary to identify the different moving parts and understand how they act together. Breaking new ground with these difficult problems is likely to require novel paradigms permitting a seamless integration of structural, dynamical and functional data from experiments and theory.The goal of this volume is to provide an introduction to the world of biological molecular machines to a broad audience of students and researchers in biosciences. Each chapter is written by leading experts to cover results from cutting-edge research, while remaining broadly accessible. The volume presents the current state of knowledge for several important systems, ranging from polymerases, the ribosome, chaperonins, the chromatophore, kinases, actin and myosin, membrane transporters, and voltage-gated ion channels, thus giving students and researches in biosciences a pedagogically integrated picture of this exciting and rapidly expanding field.

Biomolecular and Bioanalytical Techniques

Author : Vasudevan Ramesh
Publisher : John Wiley & Sons
ISBN 13 : 1119483964
Total Pages : 576 pages
Book Rating : 4.1/5 (194 download)

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Book Synopsis Biomolecular and Bioanalytical Techniques by : Vasudevan Ramesh

Download or read book Biomolecular and Bioanalytical Techniques written by Vasudevan Ramesh and published by John Wiley & Sons. This book was released on 2019-06-10 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt: An essential guide to biomolecular and bioanalytical techniques and their applications Biomolecular and Bioanalytical Techniques offers an introduction to, and a basic understanding of, a wide range of biophysical techniques. The text takes an interdisciplinary approach with contributions from a panel of distinguished experts. With a focus on research, the text comprehensively covers a broad selection of topics drawn from contemporary research in the fields of chemistry and biology. Each of the internationally reputed authors has contributed a single chapter on a specific technique. The chapters cover the specific technique’s background, theory, principles, technique, methodology, protocol and applications. The text explores the use of a variety of analytical tools to characterise biological samples. The contributors explain how to identify and quantify biochemically important molecules, including small molecules as well as biological macromolecules such as enzymes, antibodies, proteins, peptides and nucleic acids. This book is filled with essential knowledge and explores the skills needed to carry out the research and development roles in academic and industrial laboratories. A technique-focused book that bridges the gap between an introductory text and a book on advanced research methods Provides the necessary background and skills needed to advance the research methods Features a structured approach within each chapter Demonstrates an interdisciplinary approach that serves to develop independent thinking Written for students in chemistry, biological, medical, pharmaceutical, forensic and biophysical sciences, Biomolecular and Bioanalytical Techniques is an in-depth review of the most current biomolecular and bioanalytical techniques in the field.

Certified Reduced Basis Methods for Parametrized Partial Differential Equations

Author : Jan S Hesthaven
Publisher : Springer
ISBN 13 : 3319224700
Total Pages : 139 pages
Book Rating : 4.3/5 (192 download)

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Book Synopsis Certified Reduced Basis Methods for Parametrized Partial Differential Equations by : Jan S Hesthaven

Download or read book Certified Reduced Basis Methods for Parametrized Partial Differential Equations written by Jan S Hesthaven and published by Springer. This book was released on 2015-08-20 with total page 139 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a thorough introduction to the mathematical and algorithmic aspects of certified reduced basis methods for parametrized partial differential equations. Central aspects ranging from model construction, error estimation and computational efficiency to empirical interpolation methods are discussed in detail for coercive problems. More advanced aspects associated with time-dependent problems, non-compliant and non-coercive problems and applications with geometric variation are also discussed as examples.

Computational Drug Discovery

Author : Pooja A. Chawla
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3111207110
Total Pages : 440 pages
Book Rating : 4.1/5 (112 download)

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Book Synopsis Computational Drug Discovery by : Pooja A. Chawla

Download or read book Computational Drug Discovery written by Pooja A. Chawla and published by Walter de Gruyter GmbH & Co KG. This book was released on 2024-10-07 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods and understanding computational models are important in modern drug discovery. The book focuses on computational approaches that can improve the development of in silico methodologies. It includes lead hit methods, docking algorithms, computational chiral compounds, structure-based drug design, GROMACS and NAMD, structural genomics, toxicity prediction, enzyme inhibitors and peptidomimetic therapeutics

Theory of Solutions

Author : John G. Kirkwood
Publisher : CRC Press
ISBN 13 : 9780677010304
Total Pages : 320 pages
Book Rating : 4.0/5 (13 download)

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Book Synopsis Theory of Solutions by : John G. Kirkwood

Download or read book Theory of Solutions written by John G. Kirkwood and published by CRC Press. This book was released on 2001-12 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Dissertation Abstracts International

Author :
Publisher :
ISBN 13 :
Total Pages : 906 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Dissertation Abstracts International by :

Download or read book Dissertation Abstracts International written by and published by . This book was released on 2008 with total page 906 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Converging Pharmacy Science and Engineering in Computational Drug Discovery

Author : Tripathi, Rati Kailash Prasad
Publisher : IGI Global
ISBN 13 :
Total Pages : 337 pages
Book Rating : 4.3/5 (693 download)

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Book Synopsis Converging Pharmacy Science and Engineering in Computational Drug Discovery by : Tripathi, Rati Kailash Prasad

Download or read book Converging Pharmacy Science and Engineering in Computational Drug Discovery written by Tripathi, Rati Kailash Prasad and published by IGI Global. This book was released on 2024-04-22 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: The world of pharmaceutical research is moving at lightning speed, and the age-old approach to drug discovery faces many challenges. It's a fascinating time to be on the cutting edge of medical innovation, but it's certainly not without its obstacles. The process of developing new drugs is often time-consuming, expensive, and fraught with uncertainty. Researchers are constantly seeking ways to streamline this process, reduce costs, and increase the success rate of bringing new drugs to market. One promising solution lies in the convergence of pharmacy science and engineering, particularly in computational drug discovery. Converging Pharmacy Science and Engineering in Computational Drug Discovery presents a comprehensive solution to these challenges by exploring the transformative synergy between pharmacy science and engineering. This book demonstrates how researchers can expedite the identification and development of novel therapeutic compounds by harnessing the power of computational approaches, such as sophisticated algorithms and modeling techniques. Through interdisciplinary collaboration, pharmacy scientists and engineers can revolutionize drug discovery, paving the way for more efficient and effective treatments. This book is an invaluable resource for pharmaceutical scientists, researchers, and engineers seeking to enhance their understanding of computational drug discovery. This book inspires future innovations by showcasing cutting-edge methodologies and innovative research at the intersection of pharmacy science and engineering. It contributes to the ongoing evolution of pharmaceutical research. It offers practical insights and solutions that will shape the future of drug discovery, making it essential reading for anyone involved in the pharmaceutical industry.

Linkage Thermodynamics of Macromolecular Interactions

Author :
Publisher : Academic Press
ISBN 13 : 0080582249
Total Pages : 485 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Linkage Thermodynamics of Macromolecular Interactions by :

Download or read book Linkage Thermodynamics of Macromolecular Interactions written by and published by Academic Press. This book was released on 1998-06-24 with total page 485 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume commemorates the 50th anniversary of the appearance in Volume 4 in 1948 of Dr. Jeffries Wyman's famous paper in which he "laid down" the foundations of linkage thermodynamics. Experts in this area contribute articles on the state-of-the-art of this important field and on new developments of the original theory. Among the topics covered in this volume are electrostatic contributions to molecular free energies in solution; site-specific analysis of mutational effects in proteins; allosteric transitions of the acetylcholine receptor; and deciphering the molecular code of hemoglobin allostery.