• 제목/요약/키워드: inverse functions

검색결과 248건 처리시간 0.027초

Pharmacophore Modeling, Virtual Screening and Molecular Docking Studies for Identification of New Inverse Agonists of Human Histamine H1 Receptor

  • Thangapandian, Sundarapandian;Krishnamoorthy, Navaneethakrishnan;John, Shalini;Sakkiah, Sugunadevi;Lazar, Prettina;Lee, Yu-No;Lee, Keun-Woo
    • Bulletin of the Korean Chemical Society
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    • 제31권1호
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    • pp.52-58
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    • 2010
  • Human histamine H1 receptor (HHR1) is a G protein-coupled receptor and a primary target for antiallergic therapy. Here, the ligand-based three-dimensional pharmacophore models were built from a set of known HHR1 inverse agonists using HypoGen module of CATALYST software. All ten generated pharmacophore models consist of five essential features: hydrogen bond acceptor, ring aromatic, positive ionizable and two hydrophobic functions. Best model had a correlation coefficient of 0.854 for training set compounds and it was validated with an external test set with a high correlation value of 0.925. Using this model Maybridge database containing 60,000 compounds was screened for potential leads. A rigorous screening for drug-like compounds unveiled RH01692 and SPB00834, two novel molecules for HHR1 with good CATALYST fit and estimated activity values. The new lead molecules were docked into the active site of constructed HHR1 homology model based on recently crystallized squid rhodopsin as template. Both the hit compounds were found to have critical interactions with Glu177, Phe432 and other important amino acids. The interpretations of this study may effectively be deployed in designing of novel HHR1 inverse agonists.

충격응답함수와 조정법을 이용한 항공기 날개의 충격하중 복원 연구 (A Study on Reconstructing Impact Forces of an Aircraft Wing Using Impact Response Functions and Regularization Methods)

  • 박찬익
    • 한국항공우주학회지
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    • 제34권8호
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    • pp.41-46
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    • 2006
  • 충격응답함수와 조정법(regularization methods)을 이용하여 항공기 날개의 충격하중 복원 가능성을 검토하였다. 충격하중에 대한 구조의 응답을 내타낼 수 있는 충격응답함수를 날개 유한요소모델의 강성과 질량 자료로 유도하였다. 일반적으로 부적합(ill-posed) 특성을 지닌 충격응답함수의 역행렬은 반복 Tikhonov 조종법(Iterative Tikhonov Regularization Method)과 일반화 특이치 분해법(Generalized Singular Value Decomposition Method)을 사용하여 구하였다. 수치적 입증을 위하여 전투기급 주익을 사용하였다. 해당 주익의 유한요소해석을 통하여 임의의 충격하중에 대한 변위와 변형률을 계산하였으며, 이를 충격응답함수로 계산한 결과와 비교하였다. 또한, 유한요소해석에서 계산된 변형률을 사용하여 충격하중을 복원하였다. 수치적 입증 결과 항공기 구조의 충격하중 모니터링이 본 방법으로 가능할 수 있음을 보여주었다.

전산 시늉에 의한 위그너 함수와 밀도 행렬이 기술 (The description of wigner function and density matrix by computer tomograph)

  • 강장원;조기현;윤선현
    • 한국광학회지
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    • 제11권6호
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    • pp.441-446
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    • 2000
  • Balanced Homodyne Detection 방법으로 국소 진동자의 위상을 조절해 주면서, 각 위상에 대하여 광전류를 측정하여 전류세기의 분포함수를 구하여 이 값을 라돈 역변환을 포함한 Filtered Back Projection하여 빛의 양자역학적 상태를 규정하는 위그너 함수를 구하고 이로부터 간접적으로 밀도행렬을 구한다. 또 위상에 관계없이 구해진 분포함수에서 Pattern함수를 이용하여 밀도행렬을 구할 수 있다. 본 연구에서는 위의 모든 과정을 전산시늉을 통하여 여러 양자역학적 상태 입력 광에 대하여 예측되는 위그너 함수와 밀도 행렬을 구하였다.

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과모델된 선형 시불변 이산 시간 시스템의 적응 제어법칙 (Adaptive control of overmodeled linear time-invariant discrete systems)

  • 양현석;이호신
    • 제어로봇시스템학회논문지
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    • 제2권2호
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    • pp.67-72
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    • 1996
  • This paper presents a parameter adaptive control law that stabilizes and asymptotically regulates any single-input, linear time-invariant, controllable and observable, discrete-time system when only the upper bounds on the order of the system is given. The algorithm presented in this paper comprises basically a nonlinear state feedback law which is represented by functions of the state vector in the controllable subspace of the model, an adaptive identifier of plant parameters which uses inputs and outputs of a certain length, and an adaptive law for feedback gain adjustment. A new psedu-inverse algorithm is used for the adaptive feedback gain adjustment rather than a least-square algorithm. The proposed feedback law results in not only uniform boundedness of the state vector to zero. The superiority of the proposed algorithm over other algorithms is shown through some examples.

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Development for Tilting Train Dynamics Motion Base

  • Song, Yong-Soo;Shin, Seung-Kwon;Kim, Jung-Seok;Ho, Seong
    • 제어로봇시스템학회:학술대회논문집
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    • 제어로봇시스템학회 2004년도 ICCAS
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    • pp.1158-1161
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    • 2004
  • This paper describes the construction of a half sphere screen driving tilting simulator that can perform six degree-of-freedom (DOF) motions simulator to a tilting train. The mathematical equations of Tilting Train dynamics are first derived from the 6-DOF bicycle model and incorporated with the bogie, carbody, and suspension subsystems. The equations of motion are then programmed by visual C++ code. To achieve the simulator functions, a motion platform that is constructed by six electric-driven actuators is designed, and its kinetics/inverse kinetics analysis is also conducted. Driver operation signals such as carbady angle, accelerator, and tilting positions are measured to trigger the Tilting dynamics calculation and further actuate the cylinders by the motion platform control program. In addition, a digital PID controller is added to achieve the stable and accurate displacements of the motion platform. The experiments prove that the designed simulator is adequate in performing some special rail road driving situations discussed in this paper.

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제2계 2차모멘트/신뢰성조건 조합방법에 의한 부분안전계수 (Partial Safety Factors by SOSM/RC Combined Method)

  • 이종헌;신현묵;손승요
    • 전산구조공학
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    • 제1권1호
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    • pp.79-85
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    • 1988
  • 제2계 2차모멘트법인 점적합 포물체 근사법의 역과정의 연산을 구하여 신뢰성설계에 적용할 수 있도록 하였으며, 파괴점을 구하기 위한 신뢰성조건법을 연산과정을 수정하여 한계상태함수가 비선형인 경우에도 문제마다 식을 새로 수립하는 번거로움을 피하도록 하였다. SOSM/RC 조합방법을 이용하면 결과적인 파괴확률은 목표파괴확률에 부합하며 넓은 범위의 하중비에 대해 거의 일정한 부분안전계수를 얻을 수 있다.

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4-구륜 2-자유도 이동 로보트의 기구학 모델과 가우스함수를 이용한 경로설계 및 추적 알고리즘 (Kinematic model, path planning and tracking algorithms of 4-wheeled mobile robot 2-degree of freedom using gaussian function)

  • 김기열;정용국;박종국
    • 전자공학회논문지S
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    • 제34S권12호
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    • pp.19-29
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    • 1997
  • This paper presents stable kinematic modeling and path planning and path tracking algorithms for the poisition control of 4-wheeled 2-d.o.f(degree of freedom) mobile robot. We drived the actuated inverse and sensed forward solution for the calculation of actuator velocity and robot velocities. the deal-reckoning algorithm is introduced to calculate the position of WMR in real time. The gaussian functions are applied to control and to design the smooth orientation angle of WMR and the path planning algorithm for obstacle avoidance is prosed. We composed feedback control system to compensate for error because of uncertainty kinematic modeling and measurement noise. The simulation resutls show that the proposed kinematkc modeling and path planning and feedback control algorithms are useful.

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튜브시스템에서 변동풍압의 보정 (Correction of Fluctuation Pressure by Tube System)

  • 유기표;김영문
    • 한국공간구조학회논문집
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    • 제2권1호
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    • pp.67-73
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    • 2002
  • Measurement of fluctuating pressure by tube system is carefully designed due to the organ-pipe resonance. It is necessary to correct the pressure before analysis. The three method for correction the distortion fluctuation pressure short tube length and the frequency response functions and insert a restrictor in the tube to increase the damping. The first method is useful when the tube length is short. In second method, the distorted signal through the tubing transformed into the frequency domain, dividing by transfer function and inverse fourier transforming back into the time domain gives the required pressure signal. In this paper three types of tubing which have different length of 100cm, 150cm, 200cm were experimented the distorted signal and correct the distortion signal

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다수의 청취자를 위한 가상음향 시스템의 크로스토크 제거 (Crosstalk cancellation of virtual acoustic imaging systems for multiple listeners)

  • 김영태
    • 한국음향학회:학술대회논문집
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    • 한국음향학회 2004년도 추계학술발표대회논문집 제23권 2호
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    • pp.333-334
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    • 2004
  • The central aspect of the research into virtual acoustic imaging for multiple listeners involves a detailed study of the relative orientation of both sources and listeners. It is vital in any multiple listener system to first establish the conditioning of the potential geometrical arrangements of transducers and listeners. In this paper, this made clear the important link between the conditioning of the electro-acoustic transfer function matrix between transducers and ears and the design of inverse filters for crosstalk cancellation. This work has been undertaken by using simple free field models of the electro-acoustic transfer functions. Therefore, optimal transducer arrangements have been identified and these have been proved by time domain solutions.

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주문형 비디오 서비스 시스템에서의 정방향 및 역방향 빠른재생 기능구현 (Implementation of fast forward function in video on demand service system)

  • 권은정;최영진;김형명
    • 한국통신학회논문지
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    • 제22권6호
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    • pp.1377-1384
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    • 1997
  • We propose a new scheme to provide the fast forward and reverse(FF/R) functions to users in Video On Demand Service System. The proposed scheme is to use only I and P pictures obtained by sampling MPEG2 bit-steam. New frame raes for FF/R play are specified with parameters of MPEG2 syntrx. Bits of I and P pictures are reduced in three steps: Variable length decoding(VLD), Inverse quantization and Requantization. The proposed scheme is ecnomical in the sense that it can provide FF/R function without any additional requirement on the bandwidth and on the storage media in video server.

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