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分子对接方法在药物发现之外领域的应用   总被引:1,自引:0,他引:1  
分子对接是一个预测蛋白质与配体的结合模式和结合自由能的强有力的计算工具.该方法起源并主要应用于药物设计与研发领域,而其设计思想却可以服务于很多其他领域的研究.详细叙述了分子对接的基本原理和方法,并进一步介绍了应用广泛的基于分子对接的虚拟筛选技术.然后,结合已发表的文献,具体介绍了分子对接方法在蛋白质工程、生物修复、生物传感器及纳米科学等领域的应用.这将有助于分子对接方法及相关技术更好地服务于非药物发现领域的研究工作.  相似文献   
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Miniaturization has been an essential ingredient in the outstanding progress of information technology over the past fifty years. The next, perhaps ultimate, limit of miniaturization is that of molecules, which are the smallest entities with definite size, shape, and properties. Molecular-level systems that respond to external stimulation by changing some physical or chemical properties can be viewed as input–output devices and therefore may be useful for transferring, processing, and storing information. Some of these nanoscale devices can, in fact, perform logic operations of remarkable complexity. This research — although far from being transferred into technology — is attracting interest, since the nanometer realm seems to be out of reach for the “top-down” techniques currently available to microelectronics industry. Leaving aside futuristic speculations related to the construction of a chemical computer, molecular logic devices could be interesting for specific applications in areas such as diagnostics, medicine, and materials science, where problems need to be addressed in places — for example, inside a cell — that are out of reach for a silicon-based computer. Here we discuss the idea of processing information with artificial multicomponent molecular systems in solution by illustrating a few recent examples developed in our laboratory.  相似文献   
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Biological and solid-state nanopores have recently attracted much interest as ultrafast DNA fragment sizing and sequencing devices. Their potential however goes far beyond DNA sequencing. In particular, nanopores offer perspectives of single-molecule (bio)sensing at physiologically relevant concentrations, which is key for studying protein/protein or protein/DNA interactions. Integration of electrode structures into solid-state nanopore devices moreover enables control and fast switching of the pore properties, e.g. for active control of biopolymer transport through the nanopore. We present some of recent work in this area, namely the fabrication and characterization of nanopore/electrode architectures for single-(bio)molecule sensing. Specifically, we introduce a new technique to fabricate ultra-small metal nanopores with diameters smaller than 20 nm based on ion current feedback (ICF) controlled electrodeposition. It offers precise control of the pore conductance, is easily multiplexed, and can be extended to a wide range of different metals.  相似文献   
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Nanoscience, nanotechnology, and chemistry   总被引:2,自引:0,他引:2  
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纳米材料的本征性质与其结构密切相关,在纳米尺度操控材料并表征其结构是纳米科学与技术的关键.采用热蒸发法制备了一种四足结构ZnSe纳米晶,通过高分辨透射电子显微镜对这种四足ZnSe纳米晶的晶体结构进行了表征.该ZnSe纳米晶由一个四面体的立方晶核和四个沿[001]方向生长的六方相分枝构成.本研究对这种ZnSe纳米晶的形貌和结构进行了讨论,证明了在ZnSe纳米晶内两种晶相的共存.根据ZnSe的结晶学特性和晶相的温度稳定性,解释了这种四足结构纳米晶的生长机制:ZnSe的四面体立方晶核在高温区域形成后,ZnSe蒸汽在低温区继续沉积在晶核上形成四个六方相的分支足,最终形成了具有立方晶核的ZnSe四足纳米晶.  相似文献   
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The quintessence of the hot-injection method, a synthesis route for monodisperse, highly luminescent semiconductor nanocrystals, is reviewed. The separate stages of nucleation and growth of the nanocrystals are discussed in the framework of classical nucleation theory and an equilibrium model proposed by Debye. We also review the numerous adaptations of the original synthesis that currently provide colloidal nanocrystals with well-defined, size-dependent optical, electrical, and magnetic properties. The availability of these remarkable materials is one of the most promising developments in nanoscience and nanotechnology.  相似文献   
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Controlled modification of surfaces is one of the key pursuits of the nanoscience and nanotechnology fields, allowing for the fabrication of bespoke materials with targeted functionalities. However, many surface modifications currently require painstakingly precise and/or energy intensive processing to implement, and are thus limited in scope and scale. Here, a concept which can enhance the capacity for control of surfaces is introduced: plasma‐assisted nucleation and self‐assembly at atomic to nanoscales, scalable at atmospheric pressures.  相似文献   
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