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61.
The optimizer developed for the Mining Minima algorithm, which uses ideas from Genetic Algorithms, the Global Underestimator Method, and Poling, has been adapted for use in ligand-receptor docking. The present study describes the resulting methodology and evaluates its accuracy and speed for 27 test systems. The performance of the new docking algorithm appears to be competitive with that of previously published methods. The energy model, an empirical force field with a distance-dependent dielectric treatment of solvation, is adequate for a number of test cases, although incorrect low-energy conformations begin to compete with the correct conformation for larger sampling volumes and for highly solvent-exposed binding sites that impose little steric constraint on the ligand. 相似文献
62.
The dimensionless partial differential equations governing thedynamics of a thin flexible isotropic plate with an external load arederived and investigated. The period doubling bifurcations, as well asthe chaotic dynamics, are detected and analyzed. The algorithms leadingto the reduction of the original equations to those of a difference setof ordinary differential and algebraic equations are proposed, comparedto other known methods, and then applied to the problem.Among others, it is shown that, in spite of the system complexity, theFeigenbaum scenario exhibited by one-dimensional maps also governs theroute to chaos in the continuous system under consideration. 相似文献
63.
64.
研究了使用电化学沉积法于碱性条件下在柔性ITO衬底上制备Cu/Cu2O薄膜的方法。循环伏安曲线表明Cu2O与Cu的阴极峰分别位于-500 mV(vs Ag/AgCl)和-800 mV(vs Ag/AgCl)附近。利用循环伏安法考察了生长温度和电解液pH值等对Cu2O与Cu阴极峰电位的影响,阴极峰随生长温度的升高以及pH值的降低而略向阳极移动,沉积电流也随之相应增大。与弱酸性条件相比,上述两个阴极峰随pH值升高而移动的程度明显减小,这可能与碱性条件下C3H6O电离程度增大以及C3H6O根作为配体的过量程度有关。通过X射线衍射光谱和扫描电子显微镜的表征证实,在所研究的生长温度区间和pH值内可利用电化学沉积法在柔性ITO衬底上制备Cu/Cu2O纳米混晶薄膜。在相同的生长温度和pH条件下,电化学沉积电位对样品表面形貌和晶体性质具有较大影响。 相似文献
65.
通过研究爬壁式机器人的控制和运动特征,提出一种基于复小波包分形理论的故障检测方法.利用复小波包的平移不变性,将爬壁式机器人传感器输出信号分解成独立的频谱,并进行阀值处理和重构,从而有效去除高频噪音并提取故障的特征频率;依据信号分形维数的多尺度不变性,在嵌入维数空间,采用维数最大距离法,确定复小波包域故障信号的关联雏数.仿真实验表明,爬壁式机器人在各种异常工作模式下的故障信号关联维数能比较真实地反映其故障状态空间,同时也验证了故障信号的关联维数低于正常信号的关联维数作为故障发生与否的定量判据的正确性. 相似文献
66.
语义地图构建对移动机器人导航与规划具有重要意义,而环境分类是语义地图构建的核心问题。目前所采用的环境分类方法匹配率较低,已成为语义地图构建所面临的主要问题。对此笔者提出了一种基于支持向量机的分类方法,该方法利用激光雷达数据提取环境几何特征,训练SVM分类器对机器人工作空间模式进行识别,并将所提算法用于室内环境的语义分类。实验结果表明,该分类方法具有较高的识别率,可有效地实现语义地图构建。 相似文献
67.
Kang‐Jun Baeg Dongyoon Khim Dong‐Yu Kim Soon‐Won Jung Jae Bon Koo In‐Kyu You Henry Yan Antonio Facchetti Yong‐Young Noh 《Journal of Polymer Science.Polymer Physics》2011,49(1):62-67
Inkjet‐printed high speed polymeric complementary circuits are fabricated using an n‐type ([poly{[N,N′‐bis(2‐octyldodecyl)‐naphthalene‐1,4,5,8‐bis(dicarboximide)‐2,6‐diyl]‐alt‐5,5′‐(2,2′‐dithiophene)} [P(NDI2OD‐T2), Polyera ActivInk N2200] and two p‐type polymers [poly(3‐hexylthiophene) (P3HT) and a dithiophene‐based polymer (Polyera ActivInk P2100)]. The top‐gate/bottom‐contact (TG/BC) organic field‐effect transistors (OFETs) exhibit well‐balanced and very‐high hole and electron mobilities (μFET) of 0.2–0.5 cm2/Vs, which were enabled by optimization of the inkjet‐printed active features, small contact resistance both of electron and hole injections, and effective control over gate dielectrics and its orthogonal solvent effect (selection of poly(methyl methacrylate) and 2‐ethoxyethanol). Our first demonstrated inkjet‐printed polymeric complementary devices have been integrated to high‐performance complementary inverters (gain >30) and ring oscillators (oscillation frequency ~50 kHz). We believe that the operating frequency of printable organic circuits can be further improved more than 10 MHz by fine‐tuning of the device architecture and optimization of the p‐ and n‐channel semiconductor processing. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2010 相似文献
68.
Valerio Zardetto Thomas M. Brown Andrea Reale Aldo Di Carlo 《Journal of Polymer Science.Polymer Physics》2011,49(9):638-648
Designing and developing flexible electronics requires a thorough investigation of the substrates available for the fabrication of devices. Here, we present a practical study on a variety of significant substrates: polyethylene terephthalate (PET), its heat‐stabilized (HS) derivative, HS‐PET, and polyethylene naphthalate (PEN) plastic insulating films; indium tin oxide (ITO)‐coated ITO/PEN and ITO/PET transparent conducting films; rigid ITO/glass and FTO/glass substrates; stainless steel and titanium foils. We put the substrates through a range of tests these actually undergo during device fabrication to determine their optical, mechanical flexibility (under different types of tensile and compressive stress bending with and without a PEDOT:PSS conducting polymer layer), solvent resistance, stability to temperature treatment (conductivity and deformation), and to UV irradiation. We highlight issues and propose solutions to improve substrate response. The results and thresholds extracted reveal limitations and windows of opportunity useful for the designer of flexible optoelectronics in determining manufacturing processes and the final applications under everyday operation. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011 相似文献
69.
为提高移动机器人的位置估计精度和跟踪效果,提出一种基于道路约束条件下的移动机器人鲁棒约束H∞滤波(CHF)跟踪算法.首先,将机器人移动的道路网络作为跟踪的约束条件,并利用当前统计模型对机器人的运动进行建模.其次,将道路约束条件作为机器人跟踪的非线性状态约束,利用最小协方差估计推导了鲁棒CHF递推方程.通过拉格朗日乘子法对非线性约束优化估计问题进行求解,并利用约束信息对CHF算法的状态更新过程进行了改进.最后,通过对CHF算法和无约束的H∞滤波算法的跟踪性能进行了对比分析和验证.仿真结果表明,该算法可以实现机器人的跟踪,且跟踪精度优于HF算法. 相似文献
70.
Dr. Stefan Giselbrecht Dr. Bastian E. Rapp Prof. Dr. Christof M. Niemeyer 《Angewandte Chemie (International ed. in English)》2013,52(52):13942-13957
The term “cyborg” refers to a cybernetic organism, which characterizes the chimera of a living organism and a machine. Owing to the widespread application of intracorporeal medical devices, cyborgs are no longer exclusively a subject of science fiction novels, but technically they already exist in our society. In this review, we briefly summarize the development of modern prosthetics and the evolution of brain–machine interfaces, and discuss the latest technical developments of implantable devices, in particular, biocompatible integrated electronics and microfluidics used for communication and control of living organisms. Recent examples of animal cyborgs and their relevance to fundamental and applied biomedical research and bioethics in this novel and exciting field at the crossroads of chemistry, biomedicine, and the engineering sciences are presented. 相似文献