This book evolved from an interdisciplinary graduate course entitled 'Molecular Modeling' developed at New York University. Its primary goal is to stimulate excitement for molecular modeling research while providing grounding in the discipline. Scientists who wish to enter, or become familiar with, the field of biomolecular modeling and simulation may benefit from the broad coverage of problems and approaches.

Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text

Biomolecular Structure and Modeling: Historical Perspective * Biomolecular Structure and Modeling: Problem and Application Perspective * Protein Structure Introduction * Protein Structure Hierarchy * Nucleic Acids Structure Minitutorial * Topics in Nucleic Acids Structure * Theoretical and Computational Approaches to Biomolecular Structure * Force Fields * Nonbonded Computations * Multivariate Minimization in Computational Chemistry * Monte Carlo Techniques * Molecular Dynamics: Basics * Molecular Dynamics: Further Topics * Similarity and Diversity in Chemical Design * Epilogue * Appendices * Index