Simulations in nanobiotechnology

"Until the late 20th century, computational studies of biomolecules and nanomaterials had considered the two subjects separately. A thorough presentation of state-of-the-art simulations for studying the nanoscale behavior of materials, Simulations in Nanobiotechnology discusses computational simulations of biomolecules and nanomaterials together. The book gives readers insight into not only the fundamentals of simulation-based characterizations in nanobiotechnology, but also in how to approach new and interesting problems in nanobiotechnology using basic theoretical and computational frameworks. Presenting the simulation-based nanoscale characterizations in biological science. Describes recent efforts in MD simulation-based characterization and CG modeling of DNA and protein transport dynamics in the nanopore and nanochannel Presents recent advances made in continuum mechanics-based modeling of membrane proteins Summarizes theoretical frameworks along with atomistic simulations in single-molecule mechanics Provides the computational simulation-based mechanical characterization of protein materials Discussing advances in modeling techniques and their applications. Describes advances in nature-inspired material design; atomistic simulation-based characterization of nanoparticles optical properties; and nanoparticle-based applications in therapeutics.

Overviews of the recent advances made in experiment and simulation-based characterizations of nanoscale adhesive properties Suggests theoretical frameworks with experimental efforts in the development of nanoresonators for future nanoscale device designs Delineates advances in theoretical and computational methods for understanding the mechanical behavior of a graphene monolayer The development of experimental apparatuses has paved the way to observing physics at the nanoscale and opened a new avenue in the fundamental understanding of the physics of various objects such as biological materials and nanomaterials. With expert contributors from around the world, this book addresses topics such as the molecular dynamics of protein translocation, coarse-grained modeling of CNT-DNA interactions, multi-scale modeling of nanowire resonator sensors, and the molecular dynamics simulation of protein mechanics. It demonstrates the broad application of models and simulations that require the use of principles from multiple academic disciplines"--Provided by publisher.

Introduction to simulations in nanobiotechnology / Kilho Eom -- Modeling the interface between biological and synthetic components in hybrid nanosystems / Rogan Carr, Jeffrey Comer, and Aleksei Aksimentiev -- Coarse-grained modeling of large protein complexes for understanding their conformational dynamics / Kilho Eom [and others] -- Continuum modeling and simulation of membrane proteins / Xi Chen -- Exploring the energy landscape of biopolymers using single-molecule force spectroscopy and molecular simulations / Changbong Hyeon -- Coarse-grained modeling of DNA nanopore interactions / Yaling Liu, Abhijit Ramachandran, and Qingjiang Guo -- Mechanical characterization of protein materials / Kilho Eom -- Nature's flexible and tough armor : geometric and size effects of diatom-inspired nanoscale glass / Andre P. Garcia, Dipanjan Sen, and Markus J. Buehler -- Resonant theranostics : a new nanobiotechnological method for cancer treatment using x-ray spectroscopy of nanoparticles / Sultana N. Nahar, Anil K. Pradhan, and Maximiliano Montenegro -- Nanomechanical in vitro molecular recognition : mechanical resonance-based detection / Kilho Eom and Taeyun Kwon -- Surface-enhanced microcanti…