• Journal of Institute of Control, Robotics and Systems
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• v.18 no.9
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• pp.830-836
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• 2012

According to increasing the importance of underwater environments, the needs of UUV are growing. This paper represents the mechanism and algorithm of UUV docking system with 21-inch torpedo tubes for military submarines as a docking station. To improve the reliability of the docking, torpedo tubes launch a wired ROV and next the ROV combined with UUV is retrieved. For estimating the relative position between the ROV and UUV, in this paper, combining RF sensors and vision system is proposed. The RSSI method of RF sensors is used to estimate the distance and the optical image is combined for the directional information.

• Bulletin of the Korean Chemical Society
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• v.26 no.5
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• pp.769-775
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• 2005

An efficiency of Monte Carlo (MC) docking simulations was examined for the prediction of chiral discrimination by cyclodextrins. Docking simulations were performed with various computational parameters for the chiral discrimination of a series of 17 enantiomers by $\beta$-cyclodextrin ($\beta$-CD) or by 6-amino-6-deoxy-$\beta$-cyclodextrin (am-$\beta$-CD). A total of 30 sets of enantiomeric complexes were tested to find the optimal simulation parameters for accurate predictions. Rigid-body MC docking simulations gave more accurate predictions than flexible docking simulations. The accuracy was also affected by both the simulation temperature and the kind of force field. The prediction rate of chiral preference was improved by as much as 76.7% when rigid-body MC docking simulations were performed at low-temperatures (100 K) with a sugar22 parameter set in the CHARMM force field. Our approach for MC docking simulations suggested that the conformational rigidity of both the host and guest molecule, due to either the low-temperature or rigid-body docking condition, contributed greatly to the prediction of chiral discrimination.

• Journal of Ocean Engineering and Technology
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• v.21 no.3 s.76
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• pp.33-39
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• 2007

The more deeply the researches make progress in ocean researches including the seabed resource investigation or the oceanic ecosystem investigation, the more important the role of UUV gets. In case of study on the deep sea, there are difficulties in telecommunications between AUV and ships, and in data communication and recharging. Therefore, docking is required. In AUV docking system, the AUV should identify the position of docking device and make contact with a certain point of docking device. MOERI (Maritime & Ocean Engineering Research Institute), KORDI has conducted the docking testing on AUV ISIMI in KORDI ocean engineering water tank. As AUV ISIMI approachs the docking device, there is some cases of showing an unstable attitude, because the lights which is on Image Frame are disappeared. So we propose the docking algorithm that is fixing the rudder and stem, if the lights on image frame are reaching the specific area in the Image Frame. Also we propose the new docking device, which has a variety of position and light number. In this paper, we intend to solve the some cases of showing an unstable attitude that were found in the testing, which, first, will be identified the validity via simulation.

• Journal of Integrative Natural Science
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• v.2 no.2
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• pp.55-58
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• 2009

A ligand-receptor docking program is an indispensible tool in modern pharmaceutical design. An accurate prediction of small molecular docking pose to a receptor is essential in drug design as well as molecular recognition. An effective docking program requires the ability to locate a correct binding pose in a surprisingly complex conformational space. However, there is an inherent difficulty to predict correct binding pose. The odds are more demanding than finding a needle in a haystack. This mainly comes from the flexibility of both ligand and receptor. Because the searching space to consider is so vast, receptor rigidity has been often applied in docking programs. Even nowadays the receptor may not be considered to be fully flexible although there have been some progress in search algorithm. Improving the efficiency of searching algorithm is still in great demand to explore other applications areas with inherently flexible ligand and/or receptor. In addition to classical search algorithms such as molecular dynamics, Monte Carlo, genetic algorithm and simulated annealing, rather recent algorithms such as tabu search, stochastic tunneling, particle swarm optimizations were also found to be effective. A good search algorithm would require a good balance between exploration and exploitation. It would be a good strategy to combine algorithms already developed. This composite algorithms can be more effective than an individual search algorithms.

• Bulletin of the Korean Chemical Society
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• v.34 no.3
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• pp.899-906
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• 2013

Using generated conformations from docking analysis by Gold algorithm, some 3D-QSAR models; CoMFA and CoMSIA have been created on 39 N-benzoylated phenoxazines and phenothiazines, including their S-oxidized analogues. These molecules inhibit the polymerization of tubulin into microtubules and thus they have been studied for the development of antitumor drugs. Training set for the CoMFA and CoMSIA models using 30 docked conformations gives $q^2$ Leave one out (LOO) values of 0.756 and 0.617, and $r^2$ ncv values of 0.988 and 0.956, respectively. The ability of prediction and robustness of the models were evaluated by test set, cross validation (leave-one-out and leave-ten-out), bootstrapping, and progressive scrambling approaches. The all-orientation search (AOS) was used to achieve the best orientation to minimize the effect of initial orientation of the structures. The docking results confirmed CoMFA and CoMSIA contour maps. The docking and 3D-QSAR studies were thoroughly interpreted and discussed and confirmed the experimental $pIC_{50}$ values.

• Journal of Veterinary Science
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• v.23 no.3
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• pp.50.1-50.12
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• 2022

Background: There is an urgent need to find reliable and rapid bovine tuberculosis (bTB) diagnostics in response to the rising prevalence of bTB worldwide. Toll-like receptor 2 (TLR2) recognizes components of bTB and initiates antigen-presenting cells to mediate humoral immunity. Evaluating the affinity of antigens with TLR2 can form the basis of a new method for the diagnosis of bTB based on humoral immunity. Objectives: To develop a reliable and rapid strategy to improve diagnostic tools for bTB. Methods: In this study, we expressed and purified the sixteen bTB-specific recombinant proteins in Escherichia coli. The two antigenic proteins, MPT70 and MPT83, which were most valuable for serological diagnosis of bTB were screened. Molecular docking technology was used to analyze the affinity of MPT70, MPT83, dominant epitope peptide of MPT70 (M1), and dominant epitope peptide MPT83 (M2) with TLR2, combined with the detection results of enzyme-linked immunosorbent assay to evaluate the molecular docking effect. Results: The results showed that interaction surface Cα-atom root mean square deviation of proteins (M1, M2, MPT70, MPT83)-TLR2 protein are less than 2.5 A, showing a high affinity. It is verified by clinical serum samples that MPT70, MPT83, MPT70-MPT83 showed good diagnostic potential for the detection of anti-bTB IgG and M1, M2 can replace the whole protein as the detection antigen. Conclusions: Molecular docking to evaluate the affinity of bTB protein and TLR2 combined with ELISA provides new insights for the diagnosis of bTB.

• Journal of Ocean Engineering and Technology
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• v.30 no.3
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• pp.208-213
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• 2016

This paper proposes a potential field-based guidance law for docking a USV (unmanned surface vehicle). In most cases, a USV without side thrusters is an under-actuated system. Thus, there are undockable regions near docking stations where a USV cannot dock to a docking station without causing a collision or backward motion. This paper suggest a guidance law that prevents a USV from enter such a region by decreasing the lateral error to the docking station at the initial stage of the docking process. A Monte-carlo simulation was performed to validate the performance of the proposed method. The proposed method was compared to conventional guidance laws such as pure pursuit guidance and pure/lead pursuit guidance. As a result, the collision angle and lateral distance error of proposed method tended to have lower values compared to conventional methods.

• International Journal of Aeronautical and Space Sciences
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• v.11 no.3
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• pp.206-220
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• 2010

This paper proposes optimal control techniques for determining translational and rotational maneuvers that facilitate proximity operations and docking. Two candidate controllers that provide translational motion are compared. A state-dependent Riccati equation controller is formulated from nonlinear relative motion dynamics, and a linear quadratic tracking controller is formulated from linearized relative motion. A linear quadratic Gaussian controller using star trackers to provide quaternion measurements is designed for precision attitude maneuvering. The attitude maneuvers are evaluated for different final axis alignment geometries that depend on the approach distance. A six degrees-of-freedom simulation demonstrates that the controllers successfully perform proximity operations that meet the conditions for docking.

• Journal of Advanced Navigation Technology
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• v.23 no.2
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• pp.125-133
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• 2019

In this paper, a new study was performed on the docking of AUV to docking station using light and light sensor system under the water. For this, a guiding system for AUV loading sensor system composed of lense, light sensor, signal processor, and processor and docking system with LED are proposed. An analysis on light sensor system and light-collecting lense to obtain accurate relative angle and measurement accuracy was performed. To prove this, the system was built and a basic experiment was performed. Finally, the feasibility of the developed docking system was verified the test in the water tank.

• Bulletin of the Korean Chemical Society
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• v.29 no.8
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• pp.1499-1504
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• 2008

Pyrazine derivatives bind to b-RAF receptor which is important in cancer therapy. The ligand-receptor interactions have been studied by comparative molecular field analysis (CoMFA) and molecular docking methods. Applying conventional ligand-based alignment schemes for the whole set was not successful. However, QM and DFT results suggested that some ligands have electrostatic interaction while others have steric interactions. On the basis of these results, we divided the dataset into two subsets. Electrostatic effect was found to be important in one set while steric effect for the other. Best docking modes were obtained for each subset based on the available crystal structure. These receptor-guided CoMFA models propose an interesting possibility which is difficult to obtain otherwise. i.e., in one binding mode the electrostatic interaction plays a key role for one subset ($q^2$ = 0.46, $r^2$ = 0.98), while in another binding mode steric effect is important with another subset ($q^2$ = 0.43, $r^2$ = 0.74).