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Molecular Dynamics Simulations Of Membrane Related Processes
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Book Synopsis Modeling in Membranes and Membrane-Based Processes by : Anirban Roy
Download or read book Modeling in Membranes and Membrane-Based Processes written by Anirban Roy and published by John Wiley & Sons. This book was released on 2020-04-07 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book Modeling in Membranes and Membrane-Based Processes is based on the idea of developing a reference which will cover most relevant and “state-of-the-art” approaches in membrane modeling. This book explores almost every major aspect of modeling and the techniques applied in membrane separation studies and applications. This includes first principle-based models, thermodynamics models, computational fluid dynamics simulations, molecular dynamics simulations, and artificial intelligence-based modeling for membrane separation processes. These models have been discussed in light of various applications ranging from desalination to gas separation. In addition, this breakthrough new volume covers the fundamentals of polymer membrane pore formation mechanisms, covering not only a wide range of modeling techniques, but also has various facets of membrane-based applications. Thus, this book can be an excellent source for a holistic perspective on membranes in general, as well as a comprehensive and valuable reference work. Whether a veteran engineer in the field or lab or a student in chemical or process engineering, this latest volume in the “Advances in Membrane Processes” is a must-have, along with the first book in the series, Membrane Processes, also available from Wiley-Scrivener.
Book Synopsis Molecular Simulations and Biomembranes by : Mark S P Sansom
Download or read book Molecular Simulations and Biomembranes written by Mark S P Sansom and published by Royal Society of Chemistry. This book was released on 2010-08-01 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: The need for information in the understanding of membrane systems has been caused by three things - an increase in computer power; methodological developments and the recent expansion in the number of researchers working on it worldwide. However, there has been no up-to-date book that covers the application of simulation methods to membrane systems directly and this book fills an important void in the market. It provides a much needed update on the current methods and applications as well as highlighting recent advances in the way computer simulation can be applied to the field of membranes and membrane proteins. The objectives are to show how simulation methods can provide an important contribution to the understanding of these systems. The scope of the book is such that it covers simulation of membranes and membrane proteins, but also covers the more recent methodological developments such as coarse-grained molecular dynamics and multiscale approaches in systems biology. Applications embrace a range of biological processes including ion channel and transport proteins. The book is wide ranging with broad coverage and a strong coupling to experimental results wherever possible, including colour illustrations to highlight particular aspects of molecular structure. With an internationally respected list of authors, its publication is timely and it will prove indispensable to a large scientific readership.
Book Synopsis Mechanics of the Cell by : David H. Boal
Download or read book Mechanics of the Cell written by David H. Boal and published by Cambridge University Press. This book was released on 2012-01-19 with total page 623 pages. Available in PDF, EPUB and Kindle. Book excerpt: New edition exploring the mechanical features of biological cells for advanced undergraduate and graduate students in physics and biomedical engineering.
Book Synopsis Industrial Applications of Molecular Simulations by : Marc Meunier
Download or read book Industrial Applications of Molecular Simulations written by Marc Meunier and published by CRC Press. This book was released on 2016-04-19 with total page 413 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large increase in the number of people publishing papers based on ab initio methods from about 3,000 in 1991 to roughly 20,000 in 2009, with particularly strong growth in East Asia. Looking to the futu
Book Synopsis Computational Pharmaceutics by : Defang Ouyang
Download or read book Computational Pharmaceutics written by Defang Ouyang and published by John Wiley & Sons. This book was released on 2015-07-20 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems. The book discusses the modeling of different drug delivery systems, including cyclodextrins, solid dispersions, polymorphism prediction, dendrimer-based delivery systems, surfactant-based micelle, polymeric drug delivery systems, liposome, protein/peptide formulations, non-viral gene delivery systems, drug-protein binding, silica nanoparticles, carbon nanotube-based drug delivery systems, diamond nanoparticles and layered double hydroxides (LDHs) drug delivery systems. Although there are a number of existing books about rational drug design with molecular modeling techniques, these techniques still look mysterious and daunting for pharmaceutical scientists. This book fills the gap between pharmaceutics and molecular modeling, and presents a systematic and overall introduction to computational pharmaceutics. It covers all introductory, advanced and specialist levels. It provides a totally different perspective to pharmaceutical scientists, and will greatly facilitate the development of pharmaceutics. It also helps computational chemists to look for the important questions in the drug delivery field. This book is included in the Advances in Pharmaceutical Technology book series.
Book Synopsis Computational Biochemistry and Biophysics by : Oren M. Becker
Download or read book Computational Biochemistry and Biophysics written by Oren M. Becker and published by CRC Press. This book was released on 2001-02-09 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering theoretical methods and computational techniques in biomolecular research, this book focuses on approaches for the treatment of macromolecules, including proteins, nucleic acids, and bilayer membranes. It uses concepts in free energy calculations, conformational analysis, reaction rates, and transition pathways to calculate and interpret b
Book Synopsis Membrane Lipids by : Charles G. Cranfield
Download or read book Membrane Lipids written by Charles G. Cranfield and published by Humana. This book was released on 2021-12-02 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: This detailed book explores examples of current in vitro and in silico techniques that are at the forefront of lipid membrane research today. Beginning with methods and strategies associated with the creation and use of lipid membrane models in various research settings, the volume continues with electrical impedance spectroscopy strategies and methods to identify how ions and proteins interact with model lipid bilayers, guidance on lipid bilayer in silico molecular dynamics modeling, novel techniques to explore lipid bilayer characteristics using neutron scattering, IR spectroscopy, and atomic force microscopy (AFM), as well as unique fluorescence techniques. Written in the highly successful Methods in Molecular Biology series style, chapters include introductions to their respective topics, lists of the necessary materials, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Membrane Lipids: Methods and Protocols serves as an ideal guide for researchers seeking to further investigate the often complicated world of lipid membrane biophysics.
Book Synopsis Process Systems and Materials for CO2 Capture by : Athanasios I. Papadopoulos
Download or read book Process Systems and Materials for CO2 Capture written by Athanasios I. Papadopoulos and published by John Wiley & Sons. This book was released on 2017-05-01 with total page 686 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive volume brings together an extensive collection of systematic computer-aided tools and methods developed in recent years for CO2 capture applications, and presents a structured and organized account of works from internationally acknowledged scientists and engineers, through: Modeling of materials and processes based on chemical and physical principles Design of materials and processes based on systematic optimization methods Utilization of advanced control and integration methods in process and plant-wide operations The tools and methods described are illustrated through case studies on materials such as solvents, adsorbents, and membranes, and on processes such as absorption / desorption, pressure and vacuum swing adsorption, membranes, oxycombustion, solid looping, etc. Process Systems and Materials for CO2 Capture: Modelling, Design, Control and Integration should become the essential introductory resource for researchers and industrial practitioners in the field of CO2 capture technology who wish to explore developments in computer-aided tools and methods. In addition, it aims to introduce CO2 capture technologies to process systems engineers working in the development of general computational tools and methods by highlighting opportunities for new developments to address the needs and challenges in CO2 capture technologies.
Book Synopsis Biophysical Approaches for the Study of Membrane Structure Part B by :
Download or read book Biophysical Approaches for the Study of Membrane Structure Part B written by and published by Elsevier. This book was released on 2024-07-21 with total page 630 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biophysical Approaches for the Study of Membrane Structure, Part B, Volume 701 explores lipid membrane asymmetry and lateral heterogeneity. A burst of recent research has shown that bilayers whose leaflets differ in their physical properties—such as composition, phase state, or lateral stress—exhibit many fascinating new characteristics, but also pose a host of challenges related to their creation, characterization, simulation, and theoretical description. Chapters in this new release include Characterization of domain formation in complex membranes: Analyzing the bending modulus from simulations of complex membranes, The density-threshold affinity: Calculating lipid binding affinities from unbiased Coarse-Grain Molecular Dynamics simulations, and much more.Additional sections cover Uncertainty quantification for trans-membrane stresses and moments from simulation, Using molecular dynamics simulations to generate small-angle scattering curves and cryo-EM images of proteoliposomes, Binary Bilayer Simulations for Partitioning Within Membranes, Modeling Asymmetric Cell Membranes at All-atom Resolution, Multiscale remodeling of biomembranes and vesicles, Building complex membranes with Martini 3, Predicting lipid sorting in curved bilayer membranes, Simulating asymmetric membranes using P21 periodic boundary conditions, and many other interesting topics. - Explore the state-of-the-art of lipid membrane asymmetry - Covers experimental, theoretical, and computational techniques to create and characterize asymmetric lipid membranes - Teaches how these kinds of approaches create and characterize laterally inhomogeneous membranes
Book Synopsis Modeling of Microscale Transport in Biological Processes by : Sid M. Becker
Download or read book Modeling of Microscale Transport in Biological Processes written by Sid M. Becker and published by Academic Press. This book was released on 2016-12-27 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modeling of Microscale Transport in Biological Processes provides a compendium of recent advances in theoretical and computational modeling of biotransport phenomena at the microscale. The simulation strategies presented range from molecular to continuum models and consider both numerical and exact solution method approaches to coupled systems of equations. The biological processes covered in this book include digestion, molecular transport, microbial swimming, cilia mediated flow, microscale heat transfer, micro-vascular flow, vesicle dynamics, transport through bio-films and bio-membranes, and microscale growth dynamics. The book is written for an advanced academic research audience in the fields of engineering (encompassing biomedical, chemical, biological, mechanical, and electrical), biology and mathematics. Although written for, and by, expert researchers, each chapter provides a strong introductory section to ensure accessibility to readers at all levels. - Features recent developments in theoretical and computational modeling for clinical researchers and engineers - Furthers researcher understanding of fluid flow in biological media and focuses on biofluidics at the microscale - Includes chapters expertly authored by internationally recognized authorities in the fundamental and applied fields that are associated with microscale transport in living media
Book Synopsis Coarse-Graining of Condensed Phase and Biomolecular Systems by : Gregory A. Voth
Download or read book Coarse-Graining of Condensed Phase and Biomolecular Systems written by Gregory A. Voth and published by CRC Press. This book was released on 2008-09-22 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Assembling some of the most influential, world-renowned researchers in the field, this book covers the latest developments in the coarse-grained molecular dynamics simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors discuss the minimalist, inversion, and multiscale approaches to coarse-graining, along with the emerging challenges of coarse-graining. They also connect atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA.
Book Synopsis Dynamics of Engineered Artificial Membranes and Biosensors by : William Hoiles
Download or read book Dynamics of Engineered Artificial Membranes and Biosensors written by William Hoiles and published by Cambridge University Press. This book was released on 2018-05-03 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: A state-of-the-art guide to building synthetic membranes for biological devices, covering their construction, measurement, and modelling.
Book Synopsis Membrane Materials for Gas and Separation by : Yuri Yampolskii
Download or read book Membrane Materials for Gas and Separation written by Yuri Yampolskii and published by John Wiley & Sons. This book was released on 2017-03-20 with total page 122 pages. Available in PDF, EPUB and Kindle. Book excerpt: Si containing polymers have been instrumental in the development of membrane gas separation practices since the early 1970s. Their function is to provide a selective barrier for different molecular species, where selection takes place either on the basis of size or on the basis of physical interactions or both. Combines membrane science, organosilicon chemistry, polymer science, materials science, and physical chemistry Only book to consider polymerization chemistry and synthesis of Si-containing polymers (both glassy and rubbery), and their role as membrane materials Membrane operations present environmental benefits such as reduced waste, and recovered/recycled valuable raw materials that are currently lost to fuel or to flares
Book Synopsis Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes by : Adam Liwo
Download or read book Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes written by Adam Liwo and published by Springer. This book was released on 2018-12-19 with total page 849 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.
Book Synopsis Biomolecular Simulations by : Luca Monticelli
Download or read book Biomolecular Simulations written by Luca Monticelli and published by Humana Press. This book was released on 2012-10-04 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past 40 years the field of molecular simulations has evolved from picosecond studies of isolated macromolecules in vacuum to studies of complex, chemically heterogeneous biological systems consisting of millions of atoms, with the simulation time scales spanning up to milliseconds. In Biomolecular Simulations: Methods and Protocols, expert researchers illustrate many of the methods commonly used in molecular modelling of biological systems, including methods for electronic structure calculations, classical molecular dynamics simulations and coarse-grained techniques. A selection of advanced techniques and recent methodological developments, which rarely find coverage in traditional textbooks, is also introduced. Written in the highly successful Methods in Molecular Biology series format, chapters include general introductions to well-established computational methodologies, applications to real-world biological systems, as well as practical tips and general protocols on carrying out biomolecular simulations. Special emphasis is placed on simulations of proteins, lipids, nucleic acids, and carbohydrates. Authoritative and practical, Biomolecular Simulations: Methods and Protocols seeks to aid scientists in further simulation studies of biological systems.
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.
Book Synopsis Novel Therapeutic Proteins by : Klaus Dembowsky
Download or read book Novel Therapeutic Proteins written by Klaus Dembowsky and published by John Wiley & Sons. This book was released on 2001-10-26 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes medical applications of recombinant proteins and monoclonal antibodies, some of which have already been on the market for several years while others have only recently been launched. It also highlights the manufacturing processes for individual products, the strategies that were taken by companies in the clinical development, and the hurdles that were encountered in clinical trials and had to be overcome before approval by regulatory authorities. Finally, this book illustrates strategies to modify and improve the pharmacodynamic and pharmacokinetic properties of naturally occurring proteins thus paving the way for a new era in biotechnology. Foreword written by Jürgen Drews.
