Coarse-Grained Modeling of Biomolecules

ISBN-13: 9781466576063 / Angielski / Twarda / 2017 / 430 str.

Garegin A. Papoian

Opis

Many researchers are choosing computational modeling of biomolecules to analyze data at a level of mechanistic detail that would otherwise prove difficult to achieve. This book reflects on the tremendous impact of computational modeling, focusing on coarse-grained simulations for biomolecules, such as proteins and nucleic acids, for which systems may be too large and the processes too slow for atomistic or quantum simulations. Coverage includes fundamentals as well as applications in state-of-the-art coarse-grained force fields of proteins and nucleic acids.

Spis treści

Inverse Monte Carlo Methods. Thermodynamically Consistent Coarse-Graining of Polymers. Microscopic Physics-Based Models of Proteins and Nucleic Acids: UNRES and NARES. AWSEM-MD: Predicting Protein Structure and Function. Elastic Models of Biomolecules. Knowledge-Based Models: RNA. The Need for Computational Speed: State of the Art in DNA Coarse Graining. Coarse-Grained Modeling of Nucleosomes and Chromatin. Modeling of Genomes. Mechanics of Viruses.