• Title/Summary/Keyword: molecular computer

Search Result 344, Processing Time 0.028 seconds

The Effect of N2 Molecules on Kinetics of Pulsed $CO_2$ Laser (펄스 $CO_2$ 레이저의 Kinetics에서 질소분자의 영향)

  • Cho, Soon-Cheon;Lee, Choo-Hee
    • Proceedings of the KIEE Conference
    • /
    • 1987.11a
    • /
    • pp.412-414
    • /
    • 1987
  • Theoretical studies of concentration for negative ion and neutral species in electrical excitation discharge have been conducted at $CO_2-N_2-He=1-7-12$, total pressure 20torr. With a computer model of neutral and negative ion processes we have calculated that the concentration of co was less than 20% when expected molecular.

  • PDF

Computer Simulation of Angiotensin II Binding to Its Receptor for de novo Lead Search

  • Kim, Dooil;Youngdo Won
    • Proceedings of the Korean Biophysical Society Conference
    • /
    • 1996.07a
    • /
    • pp.23-23
    • /
    • 1996
  • A working molecular model of the angiotensin II type 1 receptor is built based on the seven transmembrane helix structure of the recently refined bacteriorhodopsin atomic coordinates. A multiple copy simultaneous search (MCSS) method is used to search the pharmacophore of angiotensin on the surface of the receptor. Multiple copies of amino acid fragments and organic functional groups are scattered around the possible binding site and the time dependent. (omitted)

  • PDF

Rotational Contour Analysis of the Vibronic Bands in the High Resolution Emission Spectra of the Benzyl Radical

  • 최익순;한명선;이상국
    • Bulletin of the Korean Chemical Society
    • /
    • v.17 no.10
    • /
    • pp.882-885
    • /
    • 1996
  • The 6a10 and 6b10 vibronic bands in the 12A2-12B2 electronic transition of the emission spectra of the benzyl radical obtained using a high resolution Fourier transform spectrometer are rotationally analyzed. The observed rotational contours were fitted by computer simulated rotational contours, providing determination of the variations, ΔA, ΔB, and ΔC of the rotational constants accompanying the vibronic transitions corresponding to each band. The molecular rotational constants A, B, and C are revised for the upper state and for the two lower states, respectively.

INVESTIGATION OF ENERGETIC DEPOSITION OF Au/Au (001) THIN FILMS BY COMPUTER SIMULATION

  • Zhang, Q. Y.;Pan, Z. Y.;Zhao, G. O.
    • Journal of the Korean Vacuum Society
    • /
    • v.7 no.s1
    • /
    • pp.183-189
    • /
    • 1998
  • A new computer simulation method for film growth, the kinetic Monte Carlo simulation in combination with the results obtained from molecular dynamics simulation for the transient process induced by deposited atoms, was developed. The behavior of energetic atom in Au/Au(100) thin film deposition was investigated by the method. The atomistic mechanism of energetic atom deposition that led to the smoothness enhancement and the relationship between the role of transient process and film growth mechanism were discussed. We found that energetic atoms cannot affect the film growth mode in layer-by-layer at high temperature. However, at temperature of film growth in 3-dimensional mode and in quasi-two-dimensional mode, energetic atoms can enhance the smoothness of film surface. The enhancement of smoothness is caused by the transient mobility of energetic atoms and the suppression for the formation of 3-dimensional islands.

  • PDF

RGISS: Rice (Oryza sativa L. ssp. japonica) Genome Information Service System

  • Lee, Dae-Sang;Seo, Hwa-Jung;Hahn, Jang-Ho;Kong, Eun-Bae;Park, Kie-Jung
    • Genomics & Informatics
    • /
    • v.5 no.4
    • /
    • pp.194-195
    • /
    • 2007
  • We have constructed the Rice Genome Information Service System (RGISS), which is an information service system of the Oryza sativa L. ssp. japonica (rice) genome, using the released version of rice Build 3.0 pseudomolecules based on the Ensembl architecture. The nonredundant library, composed of 3,360 clones of BACs, PACs, and fosmids, was used to construct supercontigs. RGISS contains 50,717 annotated genes from GenBank, 56,161 predicted genes from FgeneSH, and information on 9,587 markers, which includes STS, SSR, and EST-based RFLP. The 20,180 ESTs sequenced by the Korea National Institute of Agricultural Biotechnology (NIAB) were aligned and mapped into 168,792 exons. By gene ontology analysis, the classified protein numbers in the rice genome were 6158, 4531, and 12,364 proteins, which were mapped to molecular function, cellular component, and biological process, respectively.

Plasmon-enhanced Infrared Spectroscopy Based on Metasurface Absorber with Vertical Nanogap

  • Hwang, Inyong;Lee, Jongwon;Jung, Joo-Yun
    • Journal of Sensor Science and Technology
    • /
    • v.27 no.5
    • /
    • pp.275-279
    • /
    • 2018
  • In this study, we introduce a sensing platform based on a plasmonic metasurface absorber (MA) with a vertical nanogap for the ultrasensitive detection of monolayer molecules. The vertical nanogap of the MA, where the extremely high near-field is uniformly distributed and exposed to the external environment, is formed by an under-cut structure between a metallic cross nanoantenna and the mirror layer. The accessible sensing area and the enhanced near-field of the MA further enhance the sensitivity of surface-enhanced infrared absorption for the target molecule of 1-octadecanethiol. To provide strong coupling between the molecular vibrations and plasmonic resonance, the design parameters of the MA with a vertical nanogap are numerically designed.

The Laminating process for Single Substrate Flexible LCD

  • Bae, Kwang-Soo;Choi, Yoon-Seuk;Kim, Hak-Rin;Kim, Jae-Hoon
    • 한국정보디스플레이학회:학술대회논문집
    • /
    • 2007.08b
    • /
    • pp.1125-1128
    • /
    • 2007
  • The laminating technique for developing flexible liquid crystal display was demonstrated by using a thin UV curable polymer film and a plastic substrate with patterned polymer wall structure. We adopted the rigid wall structure to provide a solid mechanical support for the stable molecular alignment of liquid crystals (LCs) in the device. The cover film was prepared to have an ability of aligning LC molecules by patterning a micro-groove structure using the soft-lithographic process. These two substrates can be assembled tightly by the laminating and one-step UV irradiation process because of the adhesive nature of the used UV curable polymers. Proposed method can be used to fabricate the flexible LC display with simplicity and also be applicable for a cost-effective roll-to-roll process.

  • PDF

Computer Simulations of two kinds of Polydisperse Hard-Sphere Systems; Atomic Systems and Colloidal Suspensions

  • Shimura Tsutomu;Yamazaki Hiroyuki;Terada Yayoi;Tokuyama Michio
    • 한국전산유체공학회:학술대회논문집
    • /
    • 2003.10a
    • /
    • pp.21-22
    • /
    • 2003
  • We perform two kinds of computer simulations on polydisperse hard-sphere systems; a molecular-dynamics simulation on atomic systems and a Brownian-dynamics simulation on colloidal suspensions. Analyses of the mean square displacement, the radial distribution function, and the pressure suggest that there exist three phase regions, a liquid phase region, a metastable phase region, and a crystal phase region, where the freezing and melting points are shifted to the values higher than in monodisperse case. It is also shown that the long-time behavior of colloidal suspensions is exactly the same as that of atomic systems.

  • PDF

Selection of Discriminative Genes for Data Mining of Time-series Microarray Data (시계열 마이크로어레이 데이터 마이닝을 위한 분별력 있는 유전자 선정 방법)

  • Lee Min-Su;Park Seung-Soo;Kang Sung-Hee;Park Woong-Yang
    • Proceedings of the Korean Information Science Society Conference
    • /
    • 2006.06a
    • /
    • pp.25-27
    • /
    • 2006
  • 본 논문에서는 시계열 마이크로어레이데이터 마이닝을 위한 전처리 작업으로 시계열 마이크로어레이 데이터에 특징 추출 방법 및 상관관계 분석을 이용하여 분화 과정에 대해 분별력 있는 유전자들을 선정하기 위한 방법을 제안하고, 줄기세포가 신경세포로 분화하는 과정에서 특이적으로 발현되는 유전자들을 찾기 위한 시계열 마이크로어레이 데이터 분석 과정을 하나의 예로 제시한다. 분석 결과, 제안한 방법이 분화 특이적으로 발현되는 분별력 있는 유전자들, 분화 과정에서 공통적으로 발현되는 유전자들, 그리고 경계선에 존재하는 유전자들을 통해서 줄기세포 신경분화의 특징들을 규명하는데 매우 유용함을 보였다.

  • PDF