Until recently, computational studies of biomolecules and nanomaterials have considered the two subjects separately. This book provides insights into computational simulations of biomolecules and nanomaterials together. It also examines novel modeling concepts at the nano-bio-interface, that is, interactions between biomolecules and nanomaterials, such as DNA-wrapped nanotubes, nanobiosensors, and biomimetic materials. Expert contributors from around the world address such important topics as the molecular dynamics of protein translocation, coarse-grained modeling of CNT-DNA interaction, multi-scale modeling of nanowire resonator sensors, and the molecular dynamics simulation of protein mechanics.
- Provides a quantitative understanding of the mechanical function of biological molecules and nanomaterials
- Includes general computational schemes with various approaches from atomic simulations to continuum simulations
- Addresses the theoretical/simulation side of nanobiotechnology
- Presents case studies to clarify material