• 한국정밀공학회:학술대회논문집
• /
• 한국정밀공학회 2003년도 춘계학술대회 논문집
• /
• pp.316-320
• /
• 2003

This paper introduces an autonomous underwater vehicle (AUV) model, ASUM, equipped with a visual servo control system to dock into an underwater station with a camera and motion sensors. To make a visual servoing AUV, this paper implemented the visual servo control system designed with an augmented state equation, which was composed of the optical flow model of a camera and the equation of the AUV's motion. The system design and the hardware configuration of ASUM are presented in this paper. ASUM recognizes the target position by processing the captured image for the lights, which are installed around the end of the cone-type entrance of the duct. Unfortunately, experiments are not yet conducted when we write this article. The authors will present the results for the AUV docking test.

• Bulletin of the Korean Chemical Society
• /
• 제32권7호
• /
• pp.2433-2442
• /
• 2011

The three dimensional quantitative structure activity relationship (3D QSAR) models were developed using Comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA) and docking studies. The fit of Quinazolinone antifolates inside the active site of modeled bovine dihydrofolate reductase (DHFR) was assessed. Both ligand based (LB) and receptor based (RB) QSAR models were generated, these models showed good internal and external statistical reliability that is evident from the $q^2_{loo}$, $r^2_{ncv}$ and $r^2_{pred}$. The identified key features enabled us to design new Quinazolinone analogues as DHFR inhibitors. This study is a building bridge between docking studies of homology modeled bovine DHFR protein as well as ligand and target based 3D QSAR techniques of CoMFA and CoMSIA approaches.

• 대한산업공학회지
• /
• 제37권4호
• /
• pp.342-349
• /
• 2011

This paper considers the inbound and outbound truck scheduling problem in a cross docking terminal. The unloading process from inbound trucks and loading process to outbound trucks are assumed to be performed within a time window. If some items are not able to be loaded to their scheduled outbound trucks within the time window, they are stored in the terminal and shipped using the truck visiting the next time window. The objective of this paper is to schedule inbound and outbound trucks to minimize the number of items unable to ship within the time window. A mathematical model for an optimal solution is derived, and a rule-based local search heuristic algorithm and genetic algorithm (GA) are proposed. The performance of the algorithms are evaluated using randomly generated several examples.

• Asian Pacific Journal of Cancer Prevention
• /
• 제16권12호
• /
• pp.5005-5006
• /
• 2015

Gastric cancer as one of the most common cancers worldwide has various genetic and environmental risk factors including Helicobacter pylori (H.pylori) infection. Recently, loss of a tumor suppressor gene named promyelocytic leukemia (PML) has been identified in gastric cancer. However, no mutation has been found in this gene in gastric cancer samples. Cag A H.pylori protein has been shown to exert post transcriptional regulation of some tumor suppressor genes. In order to assess such a mechanism for PML degradation, we performed in silico analyses to establish any interaction between PML and Cag A proteins. In silico interaction and docking studies showed that these two proteins may have stable interactions. In addition, we showed that imatinib kinase inhibitor can restore PML function by inhibition of casein kinase 2.

• Bulletin of the Korean Chemical Society
• /
• 제27권2호
• /
• pp.266-272
• /
• 2006

Three-dimensional quantitative structure-activity relationship (3D-QSAR) models were developed for 67 molecules of 2-amino-benzothiazole-6-anilide derivatives against lymphocyte-specific protein tyrosine kinase (P56 LCK). The molecular field analysis (MFA) and receptor surface analysis (RSA) were employed for QSAR studies and the predictive ability of the model was validated by 15 test set molecules. Structure-based investigations using molecular docking simulation were performed with the crystal structure of P56 LCK. Good correlation between predicted fitness scores versus observed activities was demonstrated. The results suggested that the nature of substitutions at the 2-amino and 6-anilide positions were crucial in enhancing the activity, thereby providing new guidelines for the design of novel P56 LCK inhibitors.

• Bulletin of the Korean Chemical Society
• /
• 제24권1호
• /
• pp.95-98
• /
• 2003

Enantioselectivity of the propranolol on β-cyclodextrin was simulated by molecular modeling. Monte Carlo (MC) docking and molecular dynamics (MD) simulations were applied to investigate the molecular mechanism of enantioselective difference of both enantiomeric complexes. An energetic analysis of MC docking simulations coupled to the MD simulations successfully explains the experimental elution order of propranolol enantiomers. Molecular dynamics simulations indicate that average energy difference between the enantiomeric complexes, frequently used as a measure of chiral recognition, depends on the length of the simulation time. We found that, only in case of much longer MD simulations, noticeable chiral separation was observed.

• 대한전기학회:학술대회논문집
• /
• 대한전기학회 2007년도 심포지엄 논문집 정보 및 제어부문
• /
• pp.345-346
• /
• 2007

This paper deals with design of a cube-style modular robot. The modular robot can change its own form according to the working environment. Therefore it is suitable to work in the search and rescue area with the shape of snake, legged robot and humanoid robot. Each of modular unit has to install its own controller on the body and driving mechanism in order to give it mobility autonomously. And also they should attach and detach each other with docking mechanism and algorithm. Using this mechanism, they can make union, separation, recombination. The other important point is that some information of each cell should be exchanged to reconfigure their shape and to make some docking of the modular cell. In this paper we suggested a design concept of our modular robot focused on the docking mechanism of the robot.

• 통합자연과학논문집
• /
• 제7권2호
• /
• pp.75-78
• /
• 2014

Computer-aided drug design uses computational chemistry to discover, enhance, or study drugs and related biologically active molecules. It is now proved to be effective in reducing costs and speeding up drug discovery. In this short review, we discussed on the importance of combining molecular docking and molecular dynamics simulation methodologies. We also reviewed the importance of protein flexibility, refinement of docked complexes using molecular dynamics and the use of free energy calculations for the calculation of accurate binding energies has been reviewed.

• 통합자연과학논문집
• /
• 제11권1호
• /
• pp.19-24
• /
• 2018

CRFR is involved in the pathophysiology of various disorders including depression, stress, anxiety, post-traumatic stress disorder, and addiction. The discovery of novel and structurally diverse CRF1 receptor inhibitors becomes essential. In this study, we have performed molecular docking of CRF1R with the derivatives of 8-substituted-2-aryl-5-alkylaminoquinolines as CRF1R inhibitors. The antagonist molecules were optimized and docked into the binding site of the receptor. On analysing the docked complexes we have identified that the residues HIS214, THR215, ARG227, ARG1008, LYS1060 and ASP1061 are important in forming hydrogen bond with the inhibitors. Further studies on these residues could reveal important structural features required for the formation of CRF1R-inhibitor complex and thus in the discovery of novel and potent inhibitors.

• Journal of Industrial and Engineering Chemistry
• /
• 제67권
• /
• pp.293-300
• /
• 2018

Lipocalins are diverse group of small extracellular proteins found in various organisms. In this study, members of 10 non-homologous lipocalin-ligand crystal complex structures were remodeled using rigid and flexible ligand modes to validate the prediction efficiency of molecular docking simulation. The modeled ligand conformations indicated a high prediction accuracy in rigid ligand mode using cluster based analysis for most cases whereas the flexible ligand mode required further considerations such as ligand binding energy and RMSD for some cases. This in silico study is expected to serve as a platform in the screening of novel ligands against lipocalin family of proteins.