Simulations in Nanobiotechnology: 1st Edition (Paperback) book cover

Simulations in Nanobiotechnology

1st Edition

Edited by Kilho Eom

CRC Press

562 pages | 226 B/W Illus.

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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


About the Editor

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.

Subject Categories

BISAC Subject Codes/Headings:
SCIENCE / Biotechnology
SCIENCE / Chemistry / Physical & Theoretical