Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes

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.

• Bioinformatics methods
• Amyloid formation and stability
• Coarse-grained models of protein structure
• Coarse-grained models of nucleic acids
• Dynamics of nucleic acids
• Empirical force fields
• Membrane proteins and lipids
• Metaloenzymes
• Molecular dynamics
• Molecular mechanics
• Molecular quantum mechanics
• Molecular simulations and modeling
• Monte Carlo methods
• Protein structure prediction
• Protein dynamics

• Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland

  Adam Liwo

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