TY - JFULL AU - Wenjun Zhang and Yunqing Du and Steven W. Cranford and Ming L. Wang PY - 2016/2/ TI - Biosensor Design through Molecular Dynamics Simulation T2 - International Journal of Biotechnology and Bioengineering SP - 9 EP - 14 VL - 10 SN - 1307-6892 UR - https://publications.waset.org/pdf/10003335 PU - World Academy of Science, Engineering and Technology NX - Open Science Index 109, 2016 N2 - The beginning of 21st century has witnessed new advancements in the design and use of new materials for biosensing applications, from nano to macro, protein to tissue. Traditional analytical methods lack a complete toolset to describe the complexities introduced by living systems, pathological relations, discrete hierarchical materials, cross-phase interactions, and structure-property dependencies. Materiomics – via systematic molecular dynamics (MD) simulation – can provide structureprocess- property relations by using a materials science approach linking mechanisms across scales and enables oriented biosensor design. With this approach, DNA biosensors can be utilized to detect disease biomarkers present in individuals’ breath such as acetone for diabetes. Our wireless sensor array based on single-stranded DNA (ssDNA)-decorated single-walled carbon nanotubes (SWNT) has successfully detected trace amount of various chemicals in vapor differentiated by pattern recognition. Here, we present how MD simulation can revolutionize the way of design and screening of DNA aptamers for targeting biomarkers related to oral diseases and oral health monitoring. It demonstrates great potential to be utilized to build a library of DNDA sequences for reliable detection of several biomarkers of one specific disease, and as well provides a new methodology of creating, designing, and applying of biosensors. ER -