Chemical Theory and Multiscale Simulation in Biomolecules: From Principles to Case Studies

Chemical Theory and Multiscale Simulation in Biomolecules: From Principles to Case Studies provides an introduction to computational theory for modeling biomolecules,controls the conditions of modeling systems,outlines key methods,and demonstrates how these theories are controlled and applied in practice through examples and case studies. It is a practical guide for new learners and a resource for more experienced readers to gain a deep understanding of the theoretical background behind key methods.

Format: Paperback / softback
Length: 350 pages
Publication date: 01 November 2023
Publisher: Elsevier - Health Sciences Division

Chemical Theory and Multiscale Simulation in Biomolecules: From Principles to Case Studies is an invaluable resource for readers seeking to gain a comprehensive understanding of simulation and information modeling in biomolecules. This comprehensive book provides a thorough exploration of the theoretical foundations and practical applications of these techniques, enabling readers to bridge the gap between theory and practice.

In the first part of the book, the authors introduce computational theory for modeling biomolecules, providing a solid foundation for readers to build upon. They discuss the principles and methodologies involved in simulating complex biological systems, including molecular dynamics, Monte Carlo, and quantum mechanics. The authors also introduce the concept of information modeling, which involves representing the structure, dynamics, and interactions of biomolecules using computer algorithms.

The second part of the book focuses on controlling the conditions of modeling systems and exploring strategies for time-cost savings in computation. The authors discuss various techniques such as parameterization, optimization, and parallelization, which can help reduce the computational time required for large-scale simulations. They also provide step-by-step guidance on how to set up and run simulation experiments, including the choice of appropriate software and algorithms.

In the third part of the book, the authors showcase key methods and techniques in simulation and information modeling. They discuss molecular dynamics simulations, which simulate the motion and behavior of biomolecules at the atomic level. They also explore Monte Carlo simulations, which are used to estimate the probability of certain events in complex systems. The authors also discuss quantum mechanics simulations, which are used to study the behavior of molecules and atoms at the quantum level.

Throughout the book, the authors provide numerous examples and case studies on varied applications of simulation and information modeling in biomolecules. These examples cover a wide range of topics, including drug discovery, protein folding, and molecular dynamics simulations of biological processes. The case studies help readers apply the theoretical concepts and methods discussed in the book to real-world scenarios, enabling them to gain a deeper understanding of the theoretical background behind key methods.

Chemical Theory and Multiscale Simulation in Biomolecules: From Principles to Case Studies is an essential resource for students, researchers, and practitioners in the fields of biochemistry, molecular biology, and pharmaceutical sciences. It provides a comprehensive and up-to-date introduction to simulation and information modeling in biomolecules, covering both theoretical foundations and practical applications. With its clear and concise writing style, extensive illustrations, and practical examples, this book is accessible to readers with a range of backgrounds and expertise.

In conclusion, Chemical Theory and Multiscale Simulation in Biomolecules: From Principles to Case Studies is a must-read for anyone interested in gaining a deeper understanding of simulation and information modeling in biomolecules. This comprehensive book provides readers with the knowledge and tools needed to apply these techniques to real-world scenarios, enabling them to make informed decisions and contribute to the field of biomolecular science.

Weight: 450g
Dimension: 229 x 151 (mm)
ISBN-13: 9780323959179