• Title/Summary/Keyword: lead optimization

검색결과 386건 처리시간 0.026초

Application of Docking Methods: An Effective In Silico Tool for Drug Design

  • Kulkarni, Seema;Madhavan, Thirumurthy
    • 통합자연과학논문집
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    • 제6권2호
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    • pp.100-103
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    • 2013
  • Using computational approaches we can dock small molecules into the structures of Macromolecular targets and then score their potential complementarity to binding sites is widely used in hit identification and lead optimization techniques. This review seeks to provide the application of docking in structure-based drug design (binding mode prediction, Lead Identification and Lead optimization), and also discussed how to manage errors in docking methodology in order to overcome certain limitations of docking and scoring algorithm.

Optimum design of lead-rubber bearing system with uncertainty parameters

  • Fan, Jian;Long, Xiaohong;Zhang, Yanping
    • Structural Engineering and Mechanics
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    • 제56권6호
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    • pp.959-982
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    • 2015
  • In this study, a non-stationary random earthquake Clough-Penzien model is used to describe earthquake ground motion. Using stochastic direct integration in combination with an equivalent linear method, a solution is established to describe the non-stationary response of lead-rubber bearing (LRB) system to a stochastic earthquake. Two parameters are used to develop an optimization method for bearing design: the post-yielding stiffness and the normalized yield strength of the isolation bearing. Using the minimization of the maximum energy response level of the upper structure subjected to an earthquake as an objective function, and with the constraints that the bearing failure probability is no more than 5% and the second shape factor of the bearing is less than 5, a calculation method for the two optimal design parameters is presented. In this optimization process, the radial basis function (RBF) response surface was applied, instead of the implicit objective function and constraints, and a sequential quadratic programming (SQP) algorithm was used to solve the optimization problems. By considering the uncertainties of the structural parameters and seismic ground motion input parameters for the optimization of the bearing design, convex set models (such as the interval model and ellipsoidal model) are used to describe the uncertainty parameters. Subsequently, the optimal bearing design parameters were expanded at their median values into first-order Taylor series expansions, and then, the Lagrange multipliers method was used to determine the upper and lower boundaries of the parameters. Moreover, using a calculation example, the impacts of site soil parameters, such as input peak ground acceleration, bearing diameter and rubber shore hardness on the optimization parameters, are investigated.

Simultaneous Optimization of Multiple Responses Using Weighted Desirability Function

  • Park, Sung-Hyun;Park, Jun-Oh
    • 품질경영학회지
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    • 제25권1호
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    • pp.56-68
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    • 1997
  • The object of multiresponse optimization is to determine conditions on hte independent variables that lead to optimal or nearly optimal values of the response variables. Derringer and Suich (1980) extended Harrington's (1965) procedure by introducing more general transformations of the response into desirability functions. The core of the desirability a, pp.oach condenses a multivariate optimization into a univariate one. But because of the subjective nature of this a, pp.oach, inexperience on the part of the user in assessing a product's desirability value may lead to inaccurate results. To compensate for this defect, a weighted desirability function is introduced which takes into consideration the vriances of the responses.

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A Low-cost Optimization Design for Minimizing Chromatic Aberration by Doublet Prisms

  • Sun, Wen-Shing;Tien, Chuen-Lin;Sun, Ching-Cherng;Lee, Ching-Chun
    • Journal of the Optical Society of Korea
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    • 제16권4호
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    • pp.336-342
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    • 2012
  • A low-cost optimal double-prism method is proposed by using the developed MATLAB program to correct chromatic aberration. We present an efficient approach to choose a couple of low-cost glasses to obtain a low aberration double prism. The doublet prisms were made of two lead-free glasses. The relative partial dispersion of the two lead-free glasses is identical and their Abbe numbers are different greatly. The proposed design aims to minimize chromatic aberration, such as in apochromats, for paraxial ray tracing. Finally, an optimization design for real ray tracing can be evaluated by the chromatic aberration curve with a minimal area.

Can energy optimization lead to economic and environmental waste in LPWAN architectures?

  • Rady, Mina;Georges, Jean-Philippe;Lepage, Francis
    • ETRI Journal
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    • 제43권2호
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    • pp.173-183
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    • 2021
  • As low-power wide-area network (LPWAN) end devices (EDs) are deployed in massive scale, their economic and environmental costs of operation are becoming too significant to ignore and too difficult to estimate. While LPWAN architectures and protocols are designed to primarily save energy, this study shows that energy saving does not necessarily lead to lower cost or environmental footprint of the network. Accordingly, a theoretical framework is proposed to estimate the operational expenditure (OpEx) and environmental footprint of LPWAN EDs. An extended constrained optimization model is provided for the ED link assignment to gateways (GWs) based on heterogeneous ED configurations and hardware specifications. Based on the models, a simulation framework is developed which demonstrates that OpEx, energy consumption, and environmental footprint can be in conflict with each other as constrained optimization objectives. We demonstrate different ways to achieve compromises in each dimension for overall improved network performance.

Optimization Methods for Design of Spatial Structures

  • Ohsaki, Makoto
    • 한국공간구조학회:학술대회논문집
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    • 한국공간구조학회 2005년도 춘계학술발표회 및 정기총회 2권1호(통권2호)
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    • pp.3-51
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    • 2005
  • Optimization methods are presented for design of shells and spatial structures. The effectiveness of using optimization techniques are demonstrated by the following examples: 1. Shape design of ribbed shells. 2. Shape design of membrane structures. 3. Optimization of single-layer spatial truss against buckling. 4. Application of heuristic methods to optimization of space frames. The readers may first see the numerical results to find that is possible by optimization. In the appendix, overview of structural optimization in architectural design is presented, and effectiveness of optimization is demonstrated by small examples. Each chapter is a part of a published paper, or translation from a Japanese article. So there might be some difficulties for understanding the details: inconsistency of the story, etc., which the author hope not to lead to major difficulties for understanding the concepts and results.

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Optimization of Peltier Current Leads Cooled by Two-Stage Refrigerators

  • Jeong, Eun-Soo
    • International Journal of Air-Conditioning and Refrigeration
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    • 제14권3호
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    • pp.94-101
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    • 2006
  • A theoretical investigation to find thermodynamically optimum design conditions of conduction-cooled Peltier current leads is performed. A Peltier current lead (PCL) is composed of a thermoelectric element (TE), a metallic lead and a high temperature superconductor (HTS) lead in the order of decreasing temperature. Mathematical expressions for the minimum heat flow per unit current crossing the TE-metal interface and the minimum heat flow per unit current from the metal lead to the joint of the metal and the HTS leads are obtained. It is shown that the temperature at the TE -metal interface possesses a unique optimal value that minimizes the heat flow to the joint and that this optimal value depends on the material properties of the TE and the metallic lead but not the joint temperature nor electric current. It is also shown that there exists a unique optimal value for the joint temperature between the metal and the HTS leads that minimizes the sum of the power dissipated by ohmic heating in the current leads and the refrigerator power consumed to cool the lead, for a given length of the HTS.

교차주문을 갖는 리드타임 분포의 분석 (Analysis of Lead Time Distribution with Order Crossover)

  • 김기태
    • 산업경영시스템학회지
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    • 제44권4호
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    • pp.220-226
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    • 2021
  • In supply chain, there are a variety of different uncertainties including demand, service time, lead time, and so forth. The uncertainty of demand has been commonly studied by researchers or practitioners in the field of supply chain. However, the uncertainty of upstream supply chain has also increased. A problem of uncertainty in the upstream supply chain is the fluctuation of the lead time. The stochastic lead time sometimes causes to happen so called the order crossover which is not the same sequences of the order placed and the order arrived. When the order crossover happens, ordinary inventory policies have difficult to find the optimal inventory solutions. In this research, we investigate the lead time distribution in case of the order crossover and explore the resolutions of the inventory solution with the order crossover.

Network Congestion Control using Robust Optimization Design

  • Quang, Bui Dang;Shin, Sang-Mun;Hwang, Won-Joo
    • 한국통신학회논문지
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    • 제33권11B호
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    • pp.961-967
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    • 2008
  • Congestion control is one of major mechanisms to avoid dropped packets. Many researchers use optimization theories to find an efficient way to reduce congestion in networks, but they do not consider robustness that may lead to unstable network utilities. This paper proposes a new methodology in order to solve a congestion control problem for wired networks by using a robust design principle. In our particular numerical example, the proposed method provides robust solutions that guarantee high and stable network utilities.