Ramezani Fatemeh, Amanlou Massoud, Rafii-Tabar Hashem
Department of Medicinal Chemistry, Faculty of Pharmacy and Pharmaceutical Sciences Research Center, Tehran University of Medical Sciences, Tehran, Iran.
Amino Acids. 2014 Apr;46(4):911-20. doi: 10.1007/s00726-013-1642-6. Epub 2013 Dec 31.
The study of nanomaterial/biomolecule interface is an important emerging field in bionanoscience, and additionally in many biological processes such as hard-tissue growth and cell-surface adhesion. To have a deeper understanding of the amino acids/gold nanoparticle assemblies, the adsorption of these amino acids on the gold nanoparticles (GNPs) has been investigated via molecular dynamics simulation. In these simulations, all the constituent atoms of the nanoparticles were considered to be dynamic. The geometries of amino acids, when adsorbed on the nanoparticle, were studied and their flexibilities were compared with one another. The interaction of each of 20 amino acids was considered with 3 and 8 nm gold GNPs.
纳米材料/生物分子界面的研究是生物纳米科学中一个重要的新兴领域，此外在许多生物过程中也很重要，如硬组织生长和细胞表面粘附。为了更深入地了解氨基酸/金纳米颗粒组装体，通过分子动力学模拟研究了这些氨基酸在金纳米颗粒（GNPs）上的吸附。在这些模拟中，纳米颗粒的所有组成原子都被视为动态的。研究了氨基酸吸附在纳米颗粒上时的几何形状，并相互比较了它们的柔韧性。考虑了20种氨基酸中的每一种与3纳米和8纳米金GNPs的相互作用。
