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Free Energy Calculations
Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of th...
Molecular Modeling of Proteins
Molecular Modeling of Proteins, Second Edition provides a theoretical background of various methods available and enables non-specialists to apply methods to their problems by including updated chapters and new material not covered in the first edition. This detailed volume opens by featuring classical and advanced simulation methods as well as methods to set-up complex systems such as lipid membranes and membrane proteins and continues with chapters devoted to the simulation and analysis of conformational changes of proteins, computational methods for protein structure prediction, usage of experimental data in combination with computational techniques, as well as protein-ligand interactions, which are relevant in the drug design process. Written for the highly successful Methods in Molecular Biology series, chapters include thorough introductions, step-by-step instructions and notes on troubleshooting and avoiding common pitfalls. Update-to-date and authoritative, Molecular Modeling of Proteins, Second Edition aims to aid researchers in the physical, chemical and biosciences interested in utilizing this powerful technology.
Converso Non-Conformism in Early Modern Spain
This book examines the effects of Jewish conversions to Christianity in late medieval Spanish society. Ingram focuses on these converts and their descendants (known as conversos) not as Judaizers, but as Christian humanists, mystics and evangelists, who attempt to create a new society based on quietist religious practice, merit, and toleration. His narrative takes the reader on a journey from the late fourteenth-century conversions and the first blood purity laws (designed to marginalize conversos), through the early sixteenth-century Erasmian and radical mystical movements, to a Counter-Reformation environment in which conversos become the advocates for pacifism and concordance. His account ends at the court of Philip IV, where growing intolerance towards Madrid’s converso courtiers is subtly attacked by Spain’s greatest painter, Diego Velázquez, in his work, Los Borrachos. Finally, Ingram examines the historiography of early modern Spain, in which he argues the converso reform phenomenon continues to be underexplored.
The Lattice Boltzmann Method
This book is an introduction to the theory, practice, and implementation of the Lattice Boltzmann (LB) method, a powerful computational fluid dynamics method that is steadily gaining attention due to its simplicity, scalability, extensibility, and simple handling of complex geometries. The book contains chapters on the method's background, fundamental theory, advanced extensions, and implementation. To aid beginners, the most essential paragraphs in each chapter are highlighted, and the introductory chapters on various LB topics are front-loaded with special "in a nutshell" sections that condense the chapter's most important practical results. Together, these sections can be used to quickly ...
A History of the Church in Latin America
This comprehensive history of the church in Latin America, with its emphasis on theology, will help historians and theologians to better understand the formation and continuity of the Latin American tradition.
Protein-protein Complexes
Given the immense progress achieved in elucidating protein-protein complex structures and in the field of protein interaction modeling, there is great demand for a book that gives interested researchers/students a comprehensive overview of the field. This book does just that. It focuses on what can be learned about protein-protein interactions from the analysis of protein-protein complex structures and interfaces. What are the driving forces for protein-protein association? How can we extract the mechanism of specific recognition from studying protein-protein interfaces? How can this knowledge be used to predict and design protein-protein interactions (interaction regions and complex structu...
Membrane Lipids
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.
Modelling of Biomolecular Structures and Mechanisms
Gathering together a number of experts in the world, the 27th Jerusalem Symposium was devoted to the theme of the modelling of biomolecular structures and mechanisms. As a result of recent growth in both importance and audience, the papers contained in this volume present an evaluation of the status of the present knowledge in this field. The main topics covered by this year's Symposium include nucleic acids and their interactions, proteins and their interaction, membranes and their interactions, enzymatic processes and the pharmacological and medical aspects of these subjects. Readers should benefit from the interdisciplinary approach which provides coverage of both theoretical and experimental advances.
