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{"title":"Biosensor Design through Molecular Dynamics Simulation","authors":"Wenjun Zhang, Yunqing Du, Steven W. Cranford, Ming L. Wang","volume":109,"journal":"International Journal of Biotechnology and Bioengineering","pagesStart":10,"pagesEnd":15,"ISSN":"1307-6892","URL":"https:\/\/publications.waset.org\/pdf\/10003335","abstract":"The beginning of 21st century has witnessed new \r\nadvancements in the design and use of new materials for biosensing \r\napplications, from nano to macro, protein to tissue. Traditional \r\nanalytical methods lack a complete toolset to describe the \r\ncomplexities introduced by living systems, pathological relations, \r\ndiscrete hierarchical materials, cross-phase interactions, and \r\nstructure-property dependencies. Materiomics – via systematic \r\nmolecular dynamics (MD) simulation – can provide structureprocess- \r\nproperty relations by using a materials science approach \r\nlinking mechanisms across scales and enables oriented biosensor \r\ndesign. With this approach, DNA biosensors can be utilized to detect \r\ndisease biomarkers present in individuals’ breath such as acetone for \r\ndiabetes. Our wireless sensor array based on single-stranded DNA \r\n(ssDNA)-decorated single-walled carbon nanotubes (SWNT) has \r\nsuccessfully detected trace amount of various chemicals in vapor \r\ndifferentiated by pattern recognition. Here, we present how MD \r\nsimulation can revolutionize the way of design and screening of DNA \r\naptamers for targeting biomarkers related to oral diseases and oral \r\nhealth monitoring. It demonstrates great potential to be utilized to \r\nbuild a library of DNDA sequences for reliable detection of several \r\nbiomarkers of one specific disease, and as well provides a new \r\nmethodology of creating, designing, and applying of biosensors.<\/p>\r\n","references":"[1] Hannig, G., Makrides, S. C., \"Strategies for optimizing heterologous\r\nprotein expression in Escherichia coli\", Trends Biotechnol. vol. 16, no.\r\n2, pp. 54-60, 1998.\r\n[2] Sorensen, H. P., Mortensen, K. K., \"Advanced genetic strategies for\r\nrecombinant protein expression in Escherichia coli\", J Biotechnol. vol.\r\n115, no. 2, pp. 113-128, 2005.\r\n[3] Langer, R., Tirrell, D. A., \"Designing materials for biology and\r\nmedicine\", Nature. vol. 428, no. 6982, pp. 487-492, 2004.\r\n[4] Burg, K. J. L., Porter, S., Kellam, J. F., \"Biomaterial developments for\r\nbone tissue engineering\", Biomaterials. vol. 21, no. 23, pp. 2347-2359,\r\n2000.\r\n[5] Ma, P. 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