Simulations in Nanobiotechnology  book cover
1st Edition

Simulations in Nanobiotechnology

ISBN 9781138374379
Published September 18, 2018 by CRC Press
562 Pages 226 B/W Illustrations

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Book Description

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, Part 1:

  • 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, Part 2:

  • 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.

Table of Contents

Introduction to Simulations in Nanobiotechnology
Kilho Eom

Simulations in Biological Sciences
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, Gwonchan Yoon, Jae In Kim, and Sungsoo Na
Continuum Modeling and Simulation of Membrane Proteins
Xi Chen
Exploring the Energy Landscape of Biopolymers Using Single-Molecule Force Spectroscopy and Molecular
Changbong Hyeon
Coarse-Grained Modeling of Deoxyribonucleic Acid–Nanopore Interactions
Yaling Liu, Abhijit Ramachandra, and Qingjiang Guo
Mechanical Characterization of Protein Materials
Kilho Eom

Simulations in Nanoscience and Nanotechnology
Nature’s Flexible and Tough Amour: Geometric and Size Effects on 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 Recognitions: Mechanical Resonance–Based Detections
Kilho Eom and Taeyun Kwon
Surface-Enhanced Microcantilever Sensors with Novel Structures
H. L. Duan
Nanoscale Adhesion Interactions in 1D and 2D Nanostructure-Based Material Systems
Changhong Ke and Meng Zheng
Advances in Nanoresonators: Towards Ultimate Mass, Force, and Molecule Sensing
Changhong Ke and Qing Wei
Mechanical Behavior of Monolayer Graphene by Continuum and Atomistic Modeling
Qiang Lu and Rui Huang

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Dr. Kilho Eom received a Ph.D. degree from the University of Texas at Austin in 2005. Between 2005 and 2008, he was a research scientist (2005-2007) and senior research scientist (2008) at Korea Institute of Science and Technology. Since 2008, he has been a research professor in the Department of Mechanical Engineering in Korea University. He has expertise in nanomechanics, and nanoscale physics of various objects ranging from biological molecules and cells to nanomaterials. He has served the editorial board member for ISRN Computational Mathematics.