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Using Molecular Dynamics Simulations Of Proteins To Understand The Effects Of Confinement
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Book Synopsis Ultrafast Protein Dynamics in Aqueous and Confined Environments Probed by 2D-IR Spectroscopy by : Ilya Joseph Finkelstein
Download or read book Ultrafast Protein Dynamics in Aqueous and Confined Environments Probed by 2D-IR Spectroscopy written by Ilya Joseph Finkelstein and published by . This book was released on 2007 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly by :
Download or read book Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly written by and published by Academic Press. This book was released on 2020-03-05 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly, Volume 170 in the Progress in Molecular Biology and Translational Science series, provides the most topical, informative and exciting monographs available on a wide variety of research topics. The series includes in-depth knowledge on the molecular biological aspects of organismal physiology, with this release including chapters on Pairwise-Additive and Polarizable Atomistic Force Fields for Molecular Dynamics Simulations of Proteins, Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers, Enhanced sampling and free energy methods, and much more. - Includes comprehensive coverage on molecular biology - Presents ample use of tables, diagrams, schemata and color figures to enhance the reader's ability to rapidly grasp the information provided - Contains contributions from renowned experts in the field
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 From Computational Biophysics to Systems Biology (CBSB11) – Celebrating Harold Scheraga’s 90th Birthday by : Paolo Carloni
Download or read book From Computational Biophysics to Systems Biology (CBSB11) – Celebrating Harold Scheraga’s 90th Birthday written by Paolo Carloni and published by Forschungszentrum Jülich. This book was released on 2012 with total page 267 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Nanostructures in Energy Generation, Transmission and Storage by : Yanina Fedorenko
Download or read book Nanostructures in Energy Generation, Transmission and Storage written by Yanina Fedorenko and published by BoD – Books on Demand. This book was released on 2019-03-20 with total page 168 pages. Available in PDF, EPUB and Kindle. Book excerpt: Today, clean natural resources, global warming, energy production, transmission and storage are the most widely discussed topics and main directions of scientific research. This book presents a collection of research contributions addressing recent achievements in nanoscience to mitigate societal challenges of environmental pollution and energy shortage. The environmental control, forensics and virtually any industry rely on the newest advances in nanoscience and sustainable technologies. Nanostructured materials explored in ultrasensitive sensors aid in global environmental monitoring, medical diagnostics and energy conversion applications. Global energy resources - solar energy, hydrogen generation and the oceans - are being effectively explored owing to the discovery of new materials for photo- and photo-electrochemical energy conversion, hydrogen generation and storage, water purification and desalination, environmental control and information processing.
Book Synopsis Advances in Mathematical Chemistry and Applications: Volume 2 by : Subhash C. Basak
Download or read book Advances in Mathematical Chemistry and Applications: Volume 2 written by Subhash C. Basak and published by Elsevier. This book was released on 2016-02-11 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 2 explores deeper the topics introduced in Volume 1, with numerous additional topics such as topological approaches for classifying fullerene isomers; chemical reaction networks; discrimination of small molecules using topological molecular descriptors; GRANCH methods for the mathematical characterization of DNA, RNA and protein sequences; linear regression methods and Bayesian techniques; in silico toxicity prediction methods; drug design; integration of bioinformatics and systems biology, molecular docking, and molecular dynamics; metalloenzyme models; protein folding models; molecular periodicity; generalized topologies and their applications; and many more. - Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry - Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics - About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology
Book Synopsis Molecular Dynamics and Machine Learning in Drug Discovery by : Sergio Decherchi
Download or read book Molecular Dynamics and Machine Learning in Drug Discovery written by Sergio Decherchi and published by Frontiers Media SA. This book was released on 2021-06-08 with total page 119 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dr. Sergio Decherchi and Dr. Andrea Cavalli are co-founders of BiKi Technologies s.r.l. - a company that commercializes a Molecular Dynamics-based software suite for drug discovery. All other Topic Editors declare no competing interests with regards to the Research Topic subject.
Book Synopsis Ion and Molecule Transport in Membrane Systems by : Victor Nikonenko
Download or read book Ion and Molecule Transport in Membrane Systems written by Victor Nikonenko and published by MDPI. This book was released on 2021-08-10 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Membranes play an enormous role in our life. Biological cell membranes control the fluxes of substances in and out of cells. Artificial membranes are widely used in numerous applications including “green” separation processes in chemistry, agroindustry, biology, medicine; they are used as well in energy generation from renewable sources. They largely mimic the structure and functions of biological membranes. The similarity in the structure leads to the similarity in the properties and the approaches to study the laws governing the behavior of both biological and artificial membranes. In this book, some physico-chemical and chemico-physical aspects of the structure and behavior of biological and artificial membranes are investigated.
Book Synopsis Protein Simulations by : Valerie Daggett
Download or read book Protein Simulations written by Valerie Daggett and published by Elsevier. This book was released on 2003-11-26 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: Protein Simulation focuses on predicting how protein will act in vivo. These studies use computer analysis, computer modeling, and statistical probability to predict protein function.* Force Fields* Ligand Binding* Protein Membrane Simulation* Enzyme Dynamics* Protein Folding and unfolding simulations
Book Synopsis In-cell NMR Spectroscopy by : Yutaka Ito
Download or read book In-cell NMR Spectroscopy written by Yutaka Ito and published by Royal Society of Chemistry. This book was released on 2019-12-13 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: In-cell NMR spectroscopy is a relatively new field. Despite its short history, recent in-cell NMR-related publications in major journals indicate that this method is receiving significant general attention. This book provides the first informative work specifically focused on in-cell NMR. It details the historical background of in-cell NMR, host cells for in-cell NMR studies, methods for in-cell biological techniques and NMR spectroscopy, applications, and future perspectives. Researchers in biochemistry, biophysics, molecular biology, cell biology, structural biology as well as NMR analysts interested in biological applications will all find this book valuable reading.
Book Synopsis Liquid Polymorphism, Volume 152 by : H. Eugene Stanley
Download or read book Liquid Polymorphism, Volume 152 written by H. Eugene Stanley and published by John Wiley & Sons. This book was released on 2013-04-22 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Electron Spin Resonance Studies of Supercooled Water Water-like Anomalies of Core-Softened Fluids: Dependence on the Trajectories in (P, ρ, T) Space Water Proton Environment: A New Water Anomaly at Atomic Scale? Polymorphism and Anomalous Melting in Isotropic Fluids Computer Simulations of Liquid Silica: Water-Like Thermodynamic and Dynamic Anomalies, and the Evidence for Polyamorphism
Book Synopsis Dynamical Networks in Physics and Biology by : D. Beysens
Download or read book Dynamical Networks in Physics and Biology written by D. Beysens and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: The 1997 Les Houches workshop on "Dynamical Network in Physics and Biology" was the third in a series of meetings "At the Frontier between Physics and Biology". Our objective with these workshops is to create a truly interdisciplinary forum for researchers working on outstanding problems in biology, but using different approaches (physical, chemical or biological). Generally speaking, the biologists are trained in the particular and motivated by the specifics, while, in contrast, the physicists deal with generic and "universal" models. All agree about the necessity of developing "robust" models. The specific aim of the workshop was to bridge the gap between physics and biology in the particular field of interconnected dynamical networks. The proper functioning of a living organism of any complexity requires the coordinated activity of a great number of "units". Units, or, in physical terms, degrees of freedom that couple to one another, typically form networks. The physical or biological properties of interconnected networks may drastically differ from those of the individual units: the whole is not simply an assembly of its parts, as can be demonstrated by the following examples. Above a certain (critical) concentration the metallic islands, randomly distributed in an insulating matrix, form an interconnected network. At this point the macroscopic conductivity of the system becomes finite and the amorphous metal is capable of carrying current. The value of the macroscopic conductivity typically is very different from the conductivity of the individual metallic islands.
Book Synopsis Comprehensive Nanoscience and Technology by :
Download or read book Comprehensive Nanoscience and Technology written by and published by Academic Press. This book was released on 2010-10-29 with total page 2785 pages. Available in PDF, EPUB and Kindle. Book excerpt: From the Introduction: Nanotechnology and its underpinning sciences are progressing with unprecedented rapidity. With technical advances in a variety of nanoscale fabrication and manipulation technologies, the whole topical area is maturing into a vibrant field that is generating new scientific research and a burgeoning range of commercial applications, with an annual market already at the trillion dollar threshold. The means of fabricating and controlling matter on the nanoscale afford striking and unprecedented opportunities to exploit a variety of exotic phenomena such as quantum, nanophotonic and nanoelectromechanical effects. Moreover, researchers are elucidating new perspectives on the electronic and optical properties of matter because of the way that nanoscale materials bridge the disparate theories describing molecules and bulk matter. Surface phenomena also gain a greatly increased significance; even the well-known link between chemical reactivity and surface-to-volume ratio becomes a major determinant of physical properties, when it operates over nanoscale dimensions. Against this background, this comprehensive work is designed to address the need for a dynamic, authoritative and readily accessible source of information, capturing the full breadth of the subject. Its six volumes, covering a broad spectrum of disciplines including material sciences, chemistry, physics and life sciences, have been written and edited by an outstanding team of international experts. Addressing an extensive, cross-disciplinary audience, each chapter aims to cover key developments in a scholarly, readable and critical style, providing an indispensible first point of entry to the literature for scientists and technologists from interdisciplinary fields. The work focuses on the major classes of nanomaterials in terms of their synthesis, structure and applications, reviewing nanomaterials and their respective technologies in well-structured and comprehensive articles with extensive cross-references. It has been a constant surprise and delight to have found, amongst the rapidly escalating number who work in nanoscience and technology, so many highly esteemed authors willing to contribute. Sharing our anticipation of a major addition to the literature, they have also captured the excitement of the field itself in each carefully crafted chapter. Along with our painstaking and meticulous volume editors, full credit for the success of this enterprise must go to these individuals, together with our thanks for (largely) adhering to the given deadlines. Lastly, we record our sincere thanks and appreciation for the skills and professionalism of the numerous Elsevier staff who have been involved in this project, notably Fiona Geraghty, Megan Palmer and Greg Harris, and especially Donna De Weerd-Wilson who has steered it through from its inception. We have greatly enjoyed working with them all, as we have with each other.
Book Synopsis Principles and Practices of Lyophilization in Product Development and Manufacturing by : Feroz Jameel
Download or read book Principles and Practices of Lyophilization in Product Development and Manufacturing written by Feroz Jameel and published by Springer Nature. This book was released on 2023-04-24 with total page 621 pages. Available in PDF, EPUB and Kindle. Book excerpt: The biotechnology/biopharmaceutical sector has tremendously grown which led to the invention of engineered antibodies such as Antibody Drug Conjugates (ADCs), Bispecific T cell engager ( BITES), Dual Variable Domain ( DVD), Chimeric Antigen Receptor - Modified Tcells (CART) that are currently being used as therapeutic agents for immunology and oncology disease conditions. In addition to other pharmaceuticals and biopharmaceuticals, all these novel formats are fragile with respect to their stability/structure under processing conditions meaning marginal stability in the liquid state and often require lyophilization to enhance their stability and shelf-life. This book contains chapters/topics that will describe every aspect of the lyophilization process and product development and manufacturing starting from the overview of lyophilization process, equipment required, characterization of the material, design and development of the formulation and lyophilization process, various techniques for characterization of the product, scale-up/tech-transfer and validation. It also describes the application of CFD coupled with mathematical modeling in the lyophilization process and product development, scale-up, and manufacturing. Additionally, Principles and Practice of Lyophilization Process and Product Development contains an entire dedicated section on “Preservation of Biologicals” comprised of nine chapters written by experts and including case studies.
Book Synopsis Water in Biological and Chemical Processes by : Biman Bagchi
Download or read book Water in Biological and Chemical Processes written by Biman Bagchi and published by Cambridge University Press. This book was released on 2013-11-14 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
Book Synopsis Hydrogen Bond Networks by : Marie-Claire Bellisent-Funel
Download or read book Hydrogen Bond Networks written by Marie-Claire Bellisent-Funel and published by Springer. This book was released on 2014-03-14 with total page 558 pages. Available in PDF, EPUB and Kindle. Book excerpt: The almost universal presence of water in our everyday lives and the very `common' nature of its presence and properties possibly deflects attention from the fact that it has a number of very unusual characteristics which, furthermore, are found to be extremely sensitive to physical parameters, chemical environment and other influences. Hydrogen-bonding effects, too, are not restricted to water, so it is necessary to investigate other systems as well, in order to understand the characteristics in a wider context. Hydrogen Bond Networks reflects the diversity and relevance of water in subjects ranging from the fundamentals of condensed matter physics, through aspects of chemical reactivity to structure and function in biological systems.
Book Synopsis Theory and Modeling of Polymer Nanocomposites by : Valeriy V. Ginzburg
Download or read book Theory and Modeling of Polymer Nanocomposites written by Valeriy V. Ginzburg and published by Springer Nature. This book was released on 2020-12-16 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: This edited volume brings together the state of the art in polymer nanocomposite theory and modeling, creating a roadmap for scientists and engineers seeking to design new advanced materials. The book opens with a review of molecular and mesoscale models predicting equilibrium and non-equilibrium nanoscale structure of hybrid materials as a function of composition and, especially, filler types. Subsequent chapters cover the methods and analyses used for describing the dynamics of nanocomposites and their mechanical and physical properties. Dedicated chapters present best practices for predicting materials properties of practical interest, including thermal and electrical conductivity, optical properties, barrier properties, and flammability. Each chapter is written by leading academic and industrial scientists working in each respective sub-field. The overview of modeling methodology combined with detailed examples of property predictions for specific systems will make this book useful for academic and industrial practitioners alike.
