TY - JOUR
T1 - Computational modeling of nano-bio interfaces
AU - Srinivas, Goundla
AU - Mohan, Ram V
AU - Kelkar, Ajit D
PY - 2014/1/1
Y1 - 2014/1/1
N2 - Many intriguing biological phenomena including protein folding, protein interaction with lipids, and other biomolecules occur on nanoscale [1]. Rapid growth in nanotechnology combined with biological applications revolutionized disease detection and treatment methodologies. For example, functional nanoparticles found to be effective in tumor detection and their treatment procedure as well [2]. Nano-bio interface involves a fruitful combination of nanotechnology and biomaterials [3]. Probing nano-bio interface using advanced experimental technologies has been described in previous chapters. In this chapter, a detailed description of computational efforts with a focus on understanding nano-bio interface from a molecular viewpoint is provided. Examples include model biological cell interaction with nanomaterials and other biomolecules using multi-scale molecular dynamics (MD) simulation studies. This chapter also presents a systematic comparison between experimental and computational studies, highlighting the need and usefulness of computational tools in providing a comprehensive picture of nano-bio interface.
AB - Many intriguing biological phenomena including protein folding, protein interaction with lipids, and other biomolecules occur on nanoscale [1]. Rapid growth in nanotechnology combined with biological applications revolutionized disease detection and treatment methodologies. For example, functional nanoparticles found to be effective in tumor detection and their treatment procedure as well [2]. Nano-bio interface involves a fruitful combination of nanotechnology and biomaterials [3]. Probing nano-bio interface using advanced experimental technologies has been described in previous chapters. In this chapter, a detailed description of computational efforts with a focus on understanding nano-bio interface from a molecular viewpoint is provided. Examples include model biological cell interaction with nanomaterials and other biomolecules using multi-scale molecular dynamics (MD) simulation studies. This chapter also presents a systematic comparison between experimental and computational studies, highlighting the need and usefulness of computational tools in providing a comprehensive picture of nano-bio interface.
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U2 - 10.1201/b16957
DO - 10.1201/b16957
M3 - Article
SP - 185
EP - 197
JO - Nanoscience and Nanoengineering: Advances and Applications
JF - Nanoscience and Nanoengineering: Advances and Applications
ER -