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

Download or read book Effective Techniques for Bioinformatic Exploration written by Fazendeiro, Paulo and published by IGI Global. This book was released on 2024-11-01 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of biology and technology is constantly changing and growing. However, the abundance and intricacy of biological data present significant challenges for researchers, educators, and students. Deciphering this vast sea of information to extract meaningful insights can be difficult. Traditional approaches often fail to provide comprehensive solutions to these intricate problems, leaving many struggling to navigate the complexities of bioinformatics. Effective Techniques for Bioinformatic Exploration brings new clarity to the world of bioinformatics, offering a comprehensive solution to the challenges scholars face. Through its meticulously crafted chapters, this book provides a structured approach to understanding and applying bioinformatics principles. Bridging the gap between theory and practice equips readers with the tools needed to tackle complex biological problems effectively. Whether delving into genomics, proteomics, or machine learning models, this book offers a roadmap for success. This book empowers readers to overcome challenges and make meaningful contributions to the field by embracing the scientific method and showcasing the practical application of bioinformatics techniques.

Download or read book Structural Failure Analysis and Prediction Methods for Aerospace Vehicles and Structures written by Sook-Ying Ho and published by Bentham Science Publishers. This book was released on 2010 with total page 194 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with structural failure (induced by mechanical, aerodynamic, acoustic and aero-thermal, loads, etc.) of modern aerospace vehicles, in particular high-speed aircraft, solid propellant rocket systems and hypersonic flight vehicles, where structural integrity, failure prediction and service life assessment are particularly challenging, due to the increasingly more demanding mission requirements and the use of non-traditional materials, such as non-metallic composites, in their construction. Prediction of the complex loading environment seen in high-speed operation and constitutive / fracture models which can adequately describe the non-linear behaviour exhibited by advanced alloys and composite materials are critical in analyzing the non-linear structural response of modern aerospace vehicles and structures. The state-of-the-art of the different structural integrity assessment and prediction methodologies (including non-destructive structural health monitoring techniques) used for the structural design, service life assessment and failure analysis of the different types of aerospace vehicles are presented. The chapters are written by experts from aerospace / defence research organizations and academia in the fields of solid mechanics, and structural mechanics and dynamics of aircraft, rocket and hypersonic systems. The book will serve as a useful reference document containing specialist knowledge on appropriate prediction methodologies for a given circumstance and experimental data acquired from multi-national collaborative programs.

Download or read book Introduction to Protein Structure Prediction written by Huzefa Rangwala and published by John Wiley & Sons. This book was released on 2011-03-16 with total page 611 pages. Available in PDF, EPUB and Kindle. Book excerpt: A look at the methods and algorithms used to predict protein structure A thorough knowledge of the function and structure of proteins is critical for the advancement of biology and the life sciences as well as the development of better drugs, higher-yield crops, and even synthetic bio-fuels. To that end, this reference sheds light on the methods used for protein structure prediction and reveals the key applications of modeled structures. This indispensable book covers the applications of modeled protein structures and unravels the relationship between pure sequence information and three-dimensional structure, which continues to be one of the greatest challenges in molecular biology. With this resource, readers will find an all-encompassing examination of the problems, methods, tools, servers, databases, and applications of protein structure prediction and they will acquire unique insight into the future applications of the modeled protein structures. The book begins with a thorough introduction to the protein structure prediction problem and is divided into four themes: a background on structure prediction, the prediction of structural elements, tertiary structure prediction, and functional insights. Within those four sections, the following topics are covered: Databases and resources that are commonly used for protein structure prediction The structure prediction flagship assessment (CASP) and the protein structure initiative (PSI) Definitions of recurring substructures and the computational approaches used for solving sequence problems Difficulties with contact map prediction and how sophisticated machine learning methods can solve those problems Structure prediction methods that rely on homology modeling, threading, and fragment assembly Hybrid methods that achieve high-resolution protein structures Parts of the protein structure that may be conserved and used to interact with other biomolecules How the loop prediction problem can be used for refinement of the modeled structures The computational model that detects the differences between protein structure and its modeled mutant Whether working in the field of bioinformatics or molecular biology research or taking courses in protein modeling, readers will find the content in this book invaluable.

Download or read book Protein Structure Prediction written by Anna Tramontano and published by John Wiley & Sons. This book was released on 2006-02-20 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: While most textbooks on bioinformatics focus on genetic algorithms and treat protein structure prediction only superficially, this course book assumes a novel and unique focus. Adopting a didactic approach, the author explains all the current methods in terms of their reliability, limitations and user-friendliness. She provides practical examples to help first-time users become familiar with the possibilities and pitfalls of computer-based structure prediction, making this a must-have for students and researchers.

Download or read book Science Laws and Their Applications written by Kulwant Singh and published by Cambridge Scholars Publishing. This book was released on 2023-08-30 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book concisely highlights various science laws, along with their formulas. Science laws are statements that describe natural phenomena or relationships in the physical world that have been repeatedly observed and confirmed through empirical evidence and experimentation. These laws are based on observations, measurements, and calculations, and are often expressed in mathematical terms. Examples of well-known scientific laws include: Newton's Laws of Motion, the Law of Conservation of Energy, Ohm's Law, Boyle's Law, and the Law of Universal Gravitation. These laws are fundamental to our understanding of the natural world and are the foundation upon which many scientific theories and applications are built. This book describes the various laws used in the physical sciences and elaborates briefly on the applications of each of these laws.

Download or read book Crystal structure prediction using neural network potential and age fitness Pareto genetic algorithm written by Sadman Sadeed Omee and published by OAE Publishing Inc.. This book was released on 2024-03-02 with total page 24 pages. Available in PDF, EPUB and Kindle. Book excerpt: While crystal structure prediction (CSP) remains a longstanding challenge, we introduce ParetoCSP, a novel algorithm for CSP, which combines a multi-objective genetic algorithm (GA) with a neural network inter-atomic potential model to find energetically optimal crystal structures given chemical compositions. We enhance the updated multi-objective GA (NSGA-III) by incorporating the genotypic age as an independent optimization criterion and employ the M3GNet universal inter-atomic potential to guide the GA search. Compared to GN-OA, a state-of-the-art neural potential-based CSP algorithm, ParetoCSP demonstrated significantly better predictive capabilities, outperforming by a factor of 2.562 across 55 diverse benchmark structures, as evaluated by seven performance metrics. Trajectory analysis of the traversed structures of all algorithms shows that ParetoCSP generated more valid structures than other algorithms, which helped guide the GA to search more effectively for the optimal structures. Our implementation code is available at https://github.com/sadmanomee/ParetoCSP.

Download or read book Pacific Symposium on Biocomputing 96 written by and published by World Scientific. This book was released on 1995 with total page 776 pages. Available in PDF, EPUB and Kindle. Book excerpt: "The first Pacific Symposium on Biocomputing (PSB), will be held January 3-6, 1996 at the Ritz Carlton Hotel on the Big Island of Hawaii. PSB will bring together top researchers from North America, the Asian Pacific nations, Europe, and around the world, to exchange research results and address open issues in all aspects of computational biology. Replacing and extending the last three years of Biotechnology Computing Tracks at the Hawaiian International Conference on System Sciences, PSB will provide a forum for the presentation of work in databases, algorithms, interfaces, visualization, modelling and other computational methods, as applied to biological problems, with emphasis on applications in data-rich areas of molecular biology. The PSB is focussed into 4 tracks, 4 minitracks, 2 workshops and includes two invited keynote speakers, viz., Logical Simulation of Biomolecular Information Pathways (Minoru Kanehisa, Kyoto Univ.) and CEX and the Single Chemist (David Weimger, DAYLIGHT Chemical Info. Syst.)"--Publisher's website.

Download or read book Structural Health Monitoring Management SHM in Aerospace Structures written by Fuh-Gwo Yuan and published by Elsevier. This book was released on 2024-04-30 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt: Structural Health Monitoring (SHM) Management in Aerospace and Civil Structures provides readers with the spectacular progress that has taken place over the last twenty years with respect to the area of Structural Health Monitoring (SHM) Management. The SHM field encompasses transdisciplinary areas, including smart materials, sensors and actuators, damage diagnosis and prognosis, signal and image processing algorithms, wireless intelligent sensing, data fusion, and energy harvesting. This book focuses on how SHM techniques can be applied to aircraft, mechanical and civil engineering structures with particular emphasis on composite materials.Structural Health Monitoring (SHM) Management in Aerospace and Civil Structures will be a valuable reference resource for R&D managers, materials scientists and engineers working in the aerospace sector as well as for researchers and system designers working in industry, academia and government research agencies developing new systems for the SHM of aerospace, mechanical and civil engineering structures. - Presents new developments in smart materials for sensing and actuation - Discusses new developments in mechanical metamaterials - Presents the latest on signal/imaging processing for damage diagnosis - Explores damage prognosis and integrated vehicle health management (IVHM) - Covers new developments in machine learning and artificial Intelligence

Download or read book Protein Structure Prediction written by Mohammed Zaki and published by Springer Science & Business Media. This book was released on 2007-09-12 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers elements of both the data-driven comparative modeling approach to structure prediction and also recent attempts to simulate folding using explicit or simplified models. Despite the unsolved mystery of how a protein folds, advances are being made in predicting the interactions of proteins with other molecules. Also rapidly advancing are the methods for solving the inverse folding problem, the problem of finding a sequence to fit a structure. This book focuses on the various computational methods for prediction, their successes and their limitations, from the perspective of their most well known practitioners.

Download or read book Advanced Structured Prediction written by Sebastian Nowozin and published by MIT Press. This book was released on 2014-11-21 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt: An overview of recent work in the field of structured prediction, the building of predictive machine learning models for interrelated and dependent outputs. The goal of structured prediction is to build machine learning models that predict relational information that itself has structure, such as being composed of multiple interrelated parts. These models, which reflect prior knowledge, task-specific relations, and constraints, are used in fields including computer vision, speech recognition, natural language processing, and computational biology. They can carry out such tasks as predicting a natural language sentence, or segmenting an image into meaningful components. These models are expressive and powerful, but exact computation is often intractable. A broad research effort in recent years has aimed at designing structured prediction models and approximate inference and learning procedures that are computationally efficient. This volume offers an overview of this recent research in order to make the work accessible to a broader research community. The chapters, by leading researchers in the field, cover a range of topics, including research trends, the linear programming relaxation approach, innovations in probabilistic modeling, recent theoretical progress, and resource-aware learning. Contributors Jonas Behr, Yutian Chen, Fernando De La Torre, Justin Domke, Peter V. Gehler, Andrew E. Gelfand, Sébastien Giguère, Amir Globerson, Fred A. Hamprecht, Minh Hoai, Tommi Jaakkola, Jeremy Jancsary, Joseph Keshet, Marius Kloft, Vladimir Kolmogorov, Christoph H. Lampert, François Laviolette, Xinghua Lou, Mario Marchand, André F. T. Martins, Ofer Meshi, Sebastian Nowozin, George Papandreou, Daniel Průša, Gunnar Rätsch, Amélie Rolland, Bogdan Savchynskyy, Stefan Schmidt, Thomas Schoenemann, Gabriele Schweikert, Ben Taskar, Sinisa Todorovic, Max Welling, David Weiss, Thomáš Werner, Alan Yuille, Stanislav Živný

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.

Download or read book Advances in Bioinformatics and Computational Biology written by Marcelo S. Reis and published by Springer Nature. This book was released on 2023-10-03 with total page 174 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the proceedings of the 16th Brazilian Symposium on Bioinformatics on Advances in Bioinformatics and Computational Biology, BSB 2023, which took place in Curitiba, Brazil, in June 2023. The 11 full papers and 3 short papers presented in this volume were carefully reviewed and selected from 24 submissions. The papers focus on bioinformatics, computational biology, Biological Databases, Biological Networks, Cheminformatics, Evolutionary Genomics, Computational Proteomics, Systems Biology, Drug Design, Genomics, Machine Learning applications in Bioinformatics, Metagenomics, Molecular Docking and Modeling, Molecular Evolution and Phylogenetics, Protein Structure and Modeling, Proteomics, Transcriptomics, Single-Cell Analysis, Workflows in Bioinformatics.

Download or read book RNA Structure Prediction written by Risa Karakida Kawaguchi and published by Springer Nature. This book was released on 2023-01-27 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores recent progress in RNA secondary, tertiary structure prediction, and its application from an expansive point of view. Because of advancements in experimental protocols and devices, the integration of new types of data as well as new analysis techniques is necessary, and this volume discusses additional topics that are closely related to RNA structure prediction, such as the detection of structure-disrupting mutations, high-throughput structure analysis, and 3D structure design. Written for the highly successful Methods in Molecular Biology series, chapters feature the kind of detailed implementation advice that leads to quality research results. Authoritative and practical, RNA Structure Prediction serves as a valuable guide for both experimental and computational RNA researchers.

Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Protein Folding written by Tony R. Obalinsky and published by Nova Publishers. This book was released on 2006 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proteins are one of the most basic components of all living cells and therefore serve a vital purpose in the cells of animals, plants and bacteria. They are comprised of chains of amino acids, which are held together by ribosome. These chains have many different patterns, which are known as `folds.' These folds are complicated, and therefore susceptible to irregularities that are known to be the source of many diseases. Cystic fibrosis, mad cow disease, Alzheimer's disease, emphysema and others are all initiated by improper protein folds. It is clear that, improving our understanding of protein folding is a key to fighting these diseases. This book presents recently performed research from around the world on this important subject.

Download or read book A Handbook of Artificial Intelligence in Drug Delivery written by Anil K. Philip and published by Academic Press. This book was released on 2023-03-27 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt: A Handbook of Artificial Intelligence in Drug Delivery explores the use of Artificial Intelligence (AI) in drug delivery strategies. The book covers pharmaceutical AI and drug discovery challenges, Artificial Intelligence tools for drug research, AI enabled intelligent drug delivery systems and next generation novel therapeutics, broad utility of AI for designing novel micro/nanosystems for drug delivery, AI driven personalized medicine and Gene therapy, 3D Organ printing and tissue engineering, Advanced nanosystems based on AI principles (nanorobots, nanomachines), opportunities and challenges using artificial intelligence in ADME/Tox in drug development, commercialization and regulatory perspectives, ethics in AI, and more. This book will be useful to academic and industrial researchers interested in drug delivery, chemical biology, computational chemistry, medicinal chemistry and bioinformatics. The massive time and costs investments in drug research and development necessitate application of more innovative techniques and smart strategies. - Focuses on the use of Artificial Intelligence in drug delivery strategies and future impacts - Provides insights into how artificial intelligence can be effectively used for the development of advanced drug delivery systems - Written by experts in the field of advanced drug delivery systems and digital health