Structure and Dynamics of Biological Molecules

This book presents the structures and dynamics of biomolecules such as proteins, carbohydrates, lipid membranes, RNA, and DNA, focusing on their interactions associated with various biological processes. The introductory chapter offers insights into the fundamental concepts and principles of biomolecular modeling and simulation and underscores their importance and scope in modern research. It provides an understanding of the historical evolution and contemporary challenges in force field development that govern the behavior of biomolecules. The chapters cover coarse-grained models for studying complex biomolecular assemblies and explore the power of Markov models in understanding dynamic processes within biomolecules. Furthermore, the book addresses practical applications of biomolecular modeling, with a focus on liposomes as drug delivery systems. It provides a detailed exploration of coarse-grained models, their development, and their applications in modeling complex biomolecular structures. Towards the end, the book discusses the modeling and simulation of DNA and RNA structures and their implications for drug discovery. This book is intended for researchers, scientists, and graduate students in the fields of molecular biology, biophysics, and computational chemistry.

Key Features:

• Offers a detailed introduction to biomolecular modelling and simulation for understanding biomolecular structures and dynamics
• Provides in-depth knowledge on the evolution and challenges of force field development
• Explores advanced multiscale approaches, integrating quantum calculations for a deeper understanding of biomolecular processes
• Focuses on coarse-grained models, offering insights into their development and applications in studying complex biomolecular assemblies
• Discusses the practical application of liposomes in pharmaceuticals and provides comprehensive insights into the modelling and simulation of DNA and RNA