Chemical Theory And Multiscale Simulation In Biomolecules
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Chemical Theory and Multiscale Simulation in Biomolecules
Chemical Theory and Multiscale Simulation in Biomolecules: From Principles to Case Studies helps readers understand what simulation is, what information modeling of biomolecules can provide, and how to compare this information with experiments. Beginning with an introduction to computational theory for modeling, the book goes on to describe how to control the conditions of modeling systems and possible strategies for time-cost savings in computation. Part Two further outlines key methods, with step-by-step guidance supporting readers in studying and practicing simulation processes. Part Three then shows how these theories are controlled and applied in practice, through examples and case studies on varied applications. This book is a practical guide for new learners, supporting them in learning and applying molecular modeling in practice, whilst also providing more experienced readers with the knowledge needed to gain a deep understanding of the theoretical background behind key methods. - Presents computational theory alongside case studies to help readers understand the use of simulation in practice - Includes extensive examples of different types of simulation methods and approaches to result analysis - Provides an overview of the current academic frontier and research challenges, encouraging creativity and directing attention to current problems
Biomolecular Modelling and Simulations
Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology series is the essential resource for protein chemists. Each volume brings forth new information about protocols and analysis of proteins. Each thematically organized volume is guest edited by leading experts in a broad range of protein-related topics. - Describes advances in biomolecular modelling and simulations - Chapters are written by authorities in their field - Targeted to a wide audience of researchers, specialists, and students - The information provided in the volume is well supported by a number of high quality illustrations, figures, and tables
Molecular and Computational Modeling of Cardiac Function
In Molecular and Computational Modeling of Cardiac Function, a group of prominent professors and researchers explain the fundamental concepts of molecular modeling and illustrate the biomedical applications. The book covers the following topics: Principles of atomistic modeling and simulation of biomolecular systems. Using atomistic modeling to predict the cardiotoxicity of an arrhythmia drug molecule. Bifurcation phenomena in cardiac system as control design of automaticity and arrhythmia. Modeling the role of myoglobin as a fatty acid transporter. Population-based computational approaches to investigate cardiac arrhythmia.