小分子半导体结合合成肽的结构性质
Structural Properties of Small Semiconductor-Binding Synthetic Peptides
摘要：
我们已经进行了详尽的multicanonical蒙特卡罗模拟的三个12-残基的合成肽，以调查的热力学和结构特性，以及特征的螺旋线圈转换。在这些研究中，我们采用了一个现实的模型，其中考虑到所有原子之间的相互作用。溶剂化的影响也通过使用隐式溶剂模型进行了模拟。
英文摘要：
We have performed exhaustive multicanonical Monte Carlo simulations of three 12-residue synthetic peptides in order to investigate the thermodynamic and structural properties as well as the characteristic helix-coil transitions. In these studies, we employ a realistic model where the interactions between all atoms are taken into account. Effects of solvation are also simulated by using an implicit solvent model.
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