Modeling of nano-bio interfaces based on atomic scale simulations

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

In recent years, great interest has been paid to nano-biotechnology. Various researches such as design of next generation devices and safer implants have been actively carried out. In this field, it is important to understand interactions between biomolecules and solid surfaces. To understand the interactions, experimental observation and analytical method are mainly used, and there are not many studies using theoretical and computational methods. From the viewpoint of complementing the experimental results, computational simulations that can quantitatively analyze microscopic information such as atomic arrangement and interaction such as electrostatic attraction or hydrogen bonding should be also useful. The most widely used computational method is molecular dynamics (MD) with classical force field (FF). By using MD, it is possible to perform statistical analysis incorporating the dynamic fluctuation of the target. On the other hand, quantum mechanical (QM) calculations with higher accuracy than the classical FF is also being applied. However, applicable methods and systems are limited because of its high computational cost.

Original languageEnglish
Title of host publication2017 6th International Conference on Informatics, Electronics and Vision and 2017 7th International Symposium in Computational Medical and Health Technology, ICIEV-ISCMHT 2017
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages1
Number of pages1
ISBN (Electronic)9781538610220
DOIs
Publication statusPublished - Apr 16 2018
Externally publishedYes
Event6th International Conference on Informatics, Electronics and Vision and 2017 7th International Symposium in Computational Medical and Health Technology, ICIEV-ISCMHT 2017 - Himeji, Japan
Duration: Sep 1 2017Sep 3 2017

Publication series

Name2017 6th International Conference on Informatics, Electronics and Vision and 2017 7th International Symposium in Computational Medical and Health Technology, ICIEV-ISCMHT 2017
Volume2018-January

Other

Other6th International Conference on Informatics, Electronics and Vision and 2017 7th International Symposium in Computational Medical and Health Technology, ICIEV-ISCMHT 2017
CountryJapan
CityHimeji
Period9/1/179/3/17

All Science Journal Classification (ASJC) codes

  • Computer Science Applications
  • Computer Vision and Pattern Recognition
  • Information Systems
  • Biomedical Engineering
  • Media Technology
  • Health Informatics

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