• 한국정보디스플레이학회:학술대회논문집
• /
• 2004.08a
• /
• pp.91-94
• /
• 2004

We report on the opto-electronic properties of red, green, and blue poly (fluorene) co-polymer light-emitting devices (PLEDs) fabricated on a flexible plastic substrate. The plastic substrate used has a multi-layer structure with water vapor and oxygen transmission rates of less than $10^{-5}$ g/$cm^2$-day-atm and $10^{-7}$ cc/$cm^2$-day-atm, respectively. We obtained a wide range of color gamut and a maximum emission efficiency of 0.7, 10, and 1.7 cd/A for red, green, and blue PLEDs, respectively. Finally, a simple equivalent circuit model is proposed to simulate PLED current density-voltage characteristics.

• Applied Biological Chemistry
• /
• v.41 no.8
• /
• pp.563-567
• /
• 1998

Computer aided molecular modeling can help to predict the three dimensional structure of the polypeptide without the sample. The study on soybean Bowman-Birk protease inhibitor (SBI) is valuable, because it has been recently known that SBI possesses anticarcinogenic activities and immune-stimulating properties. SBI has several isoinhibitors, whose isolation and characterization were reported in 1990. Among these, DII inhibits trypsin only. The different inhibitory specificities cannot be explained only by their different primary sequences, but is possible with further assistance by the study on their different three dimensional structures. The study on the three dimensional structure of DII using homology method is reported in this paper.

• Asian Pacific Journal of Cancer Prevention
• /
• v.13 no.7
• /
• pp.3119-3121
• /
• 2012

Non-small-cell lung cancer (NSCLC) is a leading cause of cancer deaths worldwide. Crizotinib has been approved by the U.S. Food and Drug Administration for the treatment of patients with advanced NSCLC. However, understanding of mechanisms of action is still limited. In our studies, we confirmed crizotinib-induced apoptosis in A549 lung cancer cells. In order to assess mechanisms, small molecular docking technology was used as a preliminary simulation of signaling pathways. Interesting, our results of experiments were consistent with the results of computer simulation. This indicates that small molecular docking technology should find wide use for its reliability and convenience.

• Proceedings of the IEEK Conference
• /
• 2002.06b
• /
• pp.45-48
• /
• 2002

This paper discusses the surface roughness of negative chemically amplified resists, SAL601 exposed by I-beam direct writing. system. Surface roughness, as measured by atomic force microscopy, have been simulated and compared to experimental results. Molecular-scale simulator predicts the roughness dependence on material properties and process conditions. A chemical amplification is made to occur in the resists during PEB process. Monte-Carlo and exposure simulations are used as the same program as before. However, molecular-scale PEB simulation has been remodeled using a two-dimensional molecular lattice representation of the polymer matrix. Changes in surface roughness are shown to correlate with the dose of exposure and tile baking time of PEB process. The result of simulation has a similar tendency with that of experiment.

• Applied Biological Chemistry
• /
• v.41 no.8
• /
• pp.568-571
• /
• 1998

The conformations of human insulin precursors, proinsulin and preproinsulin, are described in terms of molecular dynamics simulations. Despite the presence of the C-peptide and/or the signal peptide, molecular dynamics calculations utilizing the hydration shell model over a period of 500 ps indicate that the native conformations of the A and B chains are well conserved in both cases. These results further support the NMR spectroscopy results that the C-peptide is relatively disordered and does not influence the overall conformation of the native structure. The robustness of the native structure as demonstrated by experiment and simulation will permit future protein engineering applications, whereby the expression or purification yields can be improved upon sequence modification of the C-peptide and/or the signal peptide.

• Journal of the Semiconductor & Display Technology
• /
• v.12 no.1
• /
• pp.61-65
• /
• 2013

We investigated the wearable dynamics of diamond spherical abrasive during the substrate surface polishing under the pad compression via classical molecular dynamics modeling. We performed three-dimensional molecular dynamics simulations using the Morse potential functions for the copper substrate and the Tersoff potential function for the diamond abrasive. The pad hardness had a big impact on the wearable dynamics of the abrasive. The moving speed of the abrasive decreased with increasing hardness of the pad. As the hardness decreased, the abrasive was indented into the pad and then the sliding motion of the abrasive was increased. So the pad hardness was greatly influenced on the slide-to-roll ratio as well as the wearable rate.

• Journal of the Semiconductor & Display Technology
• /
• v.10 no.3
• /
• pp.49-52
• /
• 2011

This paper shows the results of classical molecular dynamics modeling for the interaction between spherical nano abrasive and substrate in chemical mechanical polishing processes. Atomistic modeling was achieved from 3-dimensional molecular dynamics simulations using the Morse potential functions for chemical mechanical polishing. The abrasive dynamics was modeled by three cases, such as slipping, rolling, and rotating. Simulation results showed that the different dynamics of the abrasive results the different features of surfaces. The simulation concerning polishing pad, abrasive particles and the substrate has same results.

• Genomics & Informatics
• /
• v.2 no.3
• /
• pp.121-125
• /
• 2004

The purpose of this study was to investigate the use of decision tree for the classification of antimicrobial peptides. The classification was based on the activities of known antimicrobial peptides against common microbes including Escherichia coli and Staphylococcus aureus. A feature selection was employed to select an effective subset of features from available attribute sets. Sequential applications of decision tree with 17 nodes with 9 leaves and 13 nodes with 7 leaves provided the classification rates of $76.74\%$ and $74.66\%$ against E. coli and S. aureus, respectively. Angle subtended by positively charged face and the positive charge commonly gave higher accuracies in both E. coli and S. aureusdatasets. In this study, we describe a successful application of decision tree that provides the understanding of the effects of physicochemical characteristics of peptides on bacterial membrane.

• Journal of the Korea Society of Computer and Information
• /
• v.10 no.4 s.36
• /
• pp.165-171
• /
• 2005

High speed computer, large scale storage device and high speed computer network are computing infrastructure which we can easily access to in these days. However, many computer simulations in natural or applied science such as molecular simulation require more computing power as well as larger scale of storage. Grid computing which is a next generation of distributed computing environment, is one of solution for the new requirements. Even though many researches have been going on Grid computing, those are oriented to communication interface and protocols, and middleware like globus tool kits[2, 3]. Therefore research on application level platform or application itself is yet premature and it makes real users be difficult to utilize Grid system for their research. In this paper, we suggest a new user environment and an abstract job model for simulation experiments on MGrid(Molecular Simulation Grid). It will make users be able to utilize Grid resources efficiently and reliably.

• KSII Transactions on Internet and Information Systems (TIIS)
• /
• v.16 no.4
• /
• pp.1373-1391
• /
• 2022

We investigate mobile multiple-input multiple-output (MIMO) molecular communication via diffusion (MCvD) system which is consisted of two source nodes, two destination nodes and one relay node in the mobile three-dimensional channel. First, the combinations of decode-and-forward (DF) relaying protocol and network coding (NC) scheme are implemented at relay node. The adaptive thresholds at relay node and destination nodes can be obtained by maximum a posteriori (MAP) probability detection method. Then the mathematical expressions of the average bit error probability (BEP) of this mobile MIMO MCvD system based on DF and NC scheme are derived. Furthermore, in order to minimize the average BEP, we establish the optimization problem with optimization variables which include the ratio of the number of emitted molecules at two source nodes and the initial position of relay node. We put forward an iterative scheme based on block coordinate descent algorithm which can be used to solve the optimization problem and get optimal values of the optimization variables simultaneously. Finally, the numerical results reveal that the proposed iterative method has good convergence behavior. The average BEP performance of this system can be improved by performing the joint optimizations.