MBI, Macromolecule Biomolecule Interfaces Research and Education Program PDF Download

Author: Virginia Polytechnic Institute and State University. Macromolecule Biomolecule Interfaces Research and Education Program
Publisher:
ISBN:
Category : Biomolecules
Languages : en
Pages : 6

View

Book Description

Author: Pavlo O. Dral
Publisher: Elsevier
ISBN: 0323886043
Category : Science
Languages : en
Pages : 702

View

Book Description
Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable challenge. Quantum Chemistry in the Age of Machine Learning covers this exciting field in detail, ranging from basic concepts to comprehensive methodological details to providing detailed codes and hands-on tutorials. Such an approach helps readers get a quick overview of existing techniques and provides an opportunity to learn the intricacies and inner workings of state-of-the-art methods. The book describes the underlying concepts of machine learning and quantum chemistry, machine learning potentials and learning of other quantum chemical properties, machine learning-improved quantum chemical methods, analysis of Big Data from simulations, and materials design with machine learning. Drawing on the expertise of a team of specialist contributors, this book serves as a valuable guide for both aspiring beginners and specialists in this exciting field. - Compiles advances of machine learning in quantum chemistry across different areas into a single resource - Provides insights into the underlying concepts of machine learning techniques that are relevant to quantum chemistry - Describes, in detail, the current state-of-the-art machine learning-based methods in quantum chemistry

Author: Werner Kunz
Publisher: World Scientific
ISBN: 9814271586
Category : Medical
Languages : en
Pages : 347

View

Book Description
Specific ion effects are important in numerous fields of science and technology. This book summarizes the main ideas that came up over the years. It presents the efforts of theoreticians and supports it by the experimental results stemming from various techniques.

Author: Keith Wilson
Publisher: Cambridge University Press
ISBN: 0521516358
Category : Medical
Languages : en
Pages : 769

View

Book Description
Uniquely integrates the theory and practice of key experimental techniques for bioscience undergraduates. Now includes drug discovery and clinical biochemistry.

Author: Hugh M. Cartwright
Publisher: Royal Society of Chemistry
ISBN: 1788017897
Category : Science
Languages : en
Pages : 564

View

Book Description
Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.

Author: Andreas Hofmann
Publisher: Cambridge University Press
ISBN: 1108365256
Category : Science
Languages : en
Pages : 962

View

Book Description
Bringing this best-selling textbook right up to date, the new edition uniquely integrates the theories and methods that drive the fields of biology, biotechnology and medicine, comprehensively covering both the techniques students will encounter in lab classes and those that underpin current key advances and discoveries. The contents have been updated to include both traditional and cutting-edge techniques most commonly used in current life science research. Emphasis is placed on understanding the theory behind the techniques, as well as analysis of the resulting data. New chapters cover proteomics, genomics, metabolomics, bioinformatics, as well as data analysis and visualisation. Using accessible language to describe concepts and methods, and with a wealth of new in-text worked examples to challenge students' understanding, this textbook provides an essential guide to the key techniques used in current bioscience research.

Author: Ayse Begum Tekinay
Publisher: Springer Nature
ISBN: 303031202X
Category : Science
Languages : en
Pages : 230

View

Book Description
This book covers a broad range of therapeutic applications of nanomaterials that are used for regenerative medicine applications, including neural regeneration, cartilage regeneration, wound healing, dental regeneration and implants, and immunomodulation. Chapters are contributed by leading experts in the field and cover concepts for developing materials for medicine as well as requirements for potential clinical uses. Nanomaterials for Regenerative Medicine also provides the requirements for the design of optimal nanomaterials for regenerative medicine and covers the most recent approaches in nanomaterial design. It is ideal for graduate students and researchers in chemistry, biology, materials science, medicine, and life sciences.

Author: Jacob N. Israelachvili
Publisher: Academic Press
ISBN: 0123919339
Category : Science
Languages : en
Pages : 708

View

Book Description
Intermolecular and Surface Forces describes the role of various intermolecular and interparticle forces in determining the properties of simple systems such as gases, liquids and solids, with a special focus on more complex colloidal, polymeric and biological systems. The book provides a thorough foundation in theories and concepts of intermolecular forces, allowing researchers and students to recognize which forces are important in any particular system, as well as how to control these forces. This third edition is expanded into three sections and contains five new chapters over the previous edition. - Starts from the basics and builds up to more complex systems - Covers all aspects of intermolecular and interparticle forces both at the fundamental and applied levels - Multidisciplinary approach: bringing together and unifying phenomena from different fields - This new edition has an expanded Part III and new chapters on non-equilibrium (dynamic) interactions, and tribology (friction forces)

Author: Satyajit Dey Sarker
Publisher: Elsevier
ISBN: 0443161038
Category : Science
Languages : en
Pages : 532

View

Book Description
Computational Phytochemistry, Second Edition, explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, refocusing and expanding the possibilities of phytochemical studies. By applying computational aids and mathematical models to extraction, isolation, structure determination, and bioactivity testing, researchers can obtain highly detailed information about phytochemicals and optimize working approaches. This book aims to support and encourage researchers currently working with or looking to incorporate computational methods into their phytochemical work. Topics in this book include computational methods for predicting medicinal properties, optimizing extraction, isolating plant secondary metabolites, and building dereplicated phytochemical libraries. The roles of high-throughput screening, spectral data for structural prediction, plant metabolomics, and biosynthesis are all reviewed before the application of computational aids for assessing bioactivities and virtual screening is discussed. Illustrated with detailed figures and supported by practical examples, this book is an indispensable guide for all those involved with the identification, extraction, and application of active agents from natural products. This new edition captures remarkable advancements in mathematical modeling and computational methods that have been incorporated in phytochemical research, addressing, e.g., extraction, isolation, structure determination, and bioactivity testing of phytochemicals. - Includes step-by-step protocols for various computational and mathematical approaches applied to phytochemical research - Features clearly illustrated chapters contributed by highly reputable researchers - Covers all key areas in phytochemical research, including virtual screening and metabolomics

Author: Brandon Jones
Publisher: Nova Science Publishers
ISBN: 9781536106718
Category : Botanical chemistry
Languages : en
Pages : 0

View

Book Description
Diterpenoids are chemical compounds containing 20 carbon atoms and belong to the terpenoid class. They derive from geranylgeraniol, a C20 precursor, have a C20H32 basic structure, and are composed of four isoprene units. These features make diterpenoids different from simple terpenes, which possess only 10 carbon atoms. A diterpenoid molecule may also include alcohol, phenol, aldehyde, cheton, or acidic functional groups. These compounds are highly lipophilic, odorless, and may possess strong flavours. They are found mainly in fungi and in resins of higher-order plants, as typical products of plant metabolism. This book examines the types, functions and provides new research on diterpenoids.