The papers from this symposium on algorithms for macromolecular modelling bring together the views of computational scientists from the physics and chemistry fields, as well as computer scientists working on the advancement of algorithms. Molecular dynamics are the main focus of the text.

Progressively builds a deep understanding of macromolecular behavior

Based on each of the authors' roughly forty years of biophysics research and teaching experience, this text instills readers with a deep understanding of the biophysics of macromolecules. It sets a solid foundation in the basics by beginning with core physical concepts such as thermodynamics, quantum chemical models, molecular structure and interactions, and water and the hydrophobic effect. Next, the book examines statistical mechanics, protein-ligand binding, and conformational stability. Finally, the authors...