Atomistic Approaches in Modern Biology
Author: Markus Reiher
Publisher: Springer Science & Business Media
Published: 2007-01-08
Total Pages: 368
ISBN-13: 3540380825
DOWNLOAD EBOOK →With contributions by numerous experts
Lanterna Rally
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Molecular Modeling at the Atomic Scale
Author: Ruhong Zhou
Publisher: CRC Press
Published: 2014-08-21
Total Pages: 392
ISBN-13: 1466562951
DOWNLOAD EBOOK →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.
Computational Chemistry Methods in Structural Biology
Author: Christo Christov
Publisher: Academic Press
Published: 2011-09-23
Total Pages: 360
ISBN-13: 0123864852
DOWNLOAD EBOOK →Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology serial has been a continuous, essential resource for protein chemists. Covering reviews of methodology and research in all aspects of protein chemistry, including purification/expression, proteomics, modeling and structural determination and design, each volume brings forth new information about protocols and analysis of proteins while presenting the most recent findings from leading experts in a broad range of protein-related topics. This volume features articles on Computational Chemistry methods in Structural Biology. Essential resource for protein chemists This volume features articles on Computational Chemistry methods in Structural Biology
Modeling Materials
Author: Ellad B. Tadmor
Publisher: Cambridge University Press
Published: 2011-11-24
Total Pages: 789
ISBN-13: 1139500651
DOWNLOAD EBOOK →Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding. Materials researchers must therefore understand fundamental concepts and techniques from different fields, and these are presented in a comprehensive and integrated fashion for the first time in this book. Incorporating continuum mechanics, quantum mechanics, statistical mechanics, atomistic simulations and multiscale techniques, the book explains many of the key theoretical ideas behind multiscale modeling. Classical topics are blended with new techniques to demonstrate the connections between different fields and highlight current research trends. Example applications drawn from modern research on the thermo-mechanical properties of crystalline solids are used as a unifying focus throughout the text. Together with its companion book, Continuum Mechanics and Thermodynamics (Cambridge University Press, 2011), this work presents the complete fundamentals of materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.
Computational Approaches to Protein Dynamics
Author: Monika Fuxreiter
Publisher: CRC Press
Published: 2014-12-24
Total Pages: 458
ISBN-13: 1482297868
DOWNLOAD EBOOK →The Latest Developments on the Role of Dynamics in Protein FunctionsComputational Approaches to Protein Dynamics: From Quantum to Coarse-Grained Methods presents modern biomolecular computational techniques that address protein flexibility/dynamics at all levels of theory. An international contingent of leading researchers in chemistry, physics, an
In-Silico Approaches to Macromolecular Chemistry
Author: Minu Elizabeth Thomas
Publisher: Elsevier
Published: 2023-02-28
Total Pages: 628
ISBN-13: 0323909965
DOWNLOAD EBOOK →Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Written by specialists in their respective fields, this book helps students, researchers, and industry professionals gain a clear overview of the field, and furnishes them with the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies. Highlights in silico studies of both bio and synthetic macromolecules in one book Supports both learners and experts though a combination of detailed guidance and perspectives on the future potential for in silico approaches to macromolecules Familiarizes readers with theoretical tools and software helping them select the best approach for their specific needs
Theoretical and Computational Approaches to Predicting Ionic Liquid Properties
Author: Aswathy Joseph
Publisher: Elsevier
Published: 2020-11-18
Total Pages: 292
ISBN-13: 0128202815
DOWNLOAD EBOOK →Theoretical and Computational Approaches to Predicting Ionic Liquid Properties highlights new approaches to predicting and understanding ionic liquid behavior and selecting ionic liquids based on theoretical knowledge corroborated by experimental studies. Supported throughout with case studies, the book provides a comparison of the accuracy and efficiency of different theoretical approaches. Sections cover the need for integrating theoretical research with experimental data, conformations, electronic structure and non-covalent interactions, microstructures and template effects, thermodynamics and transport properties, and spectro-chemical characteristics. Catalytic and electrochemical properties are then explored, followed by interfacial properties and solvation dynamics. Structured for ease of use, and combining the research knowledge of a global team of experts in the field, this book is an indispensable tool for those involved with the research, development and application of ionic liquids across a vast range of fields. Highlights new approaches for selecting ionic liquids by combining theoretical knowledge with experimental and simulation-based observations Discusses how theoretical simulation can help in selecting specific anion-cation combinations to show enhanced properties of interest Compares the accuracy and efficiency of different theoretical approaches for predicting ionic and liquid characteristics
Anthracycline Chemistry and Biology II
Author: Karsten Krohn
Publisher: Springer
Published: 2009-11-04
Total Pages: 231
ISBN-13: 3540758135
DOWNLOAD EBOOK →This series presents critical reviews of the present position and future trends in modern chemical research. It contains short and concise reports on chemistry, each written by the world renowned experts. The series is still valid and useful after five or ten years. More information as well as the electronic version of the whole content is available at: springerlink.com.
Analytical Methods in Supramolecular Chemistry
Author: Christoph A. Schalley
Publisher: John Wiley & Sons
Published: 2007-02-27
Total Pages: 502
ISBN-13: 3527609881
DOWNLOAD EBOOK →An overview of the techniques used to examine supramolecular aggregates from a methodological point of view. Edited by a rising star in the community and an experienced author, this is a definitive survey of useful modern analytical methods for understanding supramolecular chemistry, from NMR to single-molecule spectroscopy, from electron microscopy to extraction methods. A definitive study of this field touching many interdisciplinary areas such as molecular devices, biology, bioorganic chemistry, material science, and nanotechnology.
Recent Progress in Orbital-free Density Functional Theory
Author: Tomasz A. Wesolowski
Publisher: World Scientific
Published: 2013
Total Pages: 464
ISBN-13: 9814436739
DOWNLOAD EBOOK →This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most recent developments concerning the exact properties, approximations, and interpretations of the relevant quantities in density functional theory.The book is a compilation of contributions stemming from a series of workshops which had been taking place since 2002. It not only chronicles many of the latest developments but also summarises some of the more significant ones. The chapters are mainly reviews of sub-domains but also include original research.
