• 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.

• Special Issue of the Society of Naval Architects of Korea
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• 2006.09a
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• pp.89-96
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• 2006

The objective of this paper is to find out a reasonable method for docking analysis of ships. The characteristics of reaction force distribution under docking condition are investigated by carrying out parametric study. To assess the allowable reaction force on keel block from structural strength point of view, two kinds of structural assessment methods are proposed in accordance with expected collapse pattern. In order to verify the proposed method, linear buckling and elasto-plastic large deflection analyses of typical double bottom structure are carried out and the results are compared.

• Industrial Engineering and Management Systems
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• v.14 no.3
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• pp.299-311
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• 2015

Nowadays, the distribution centres aim to reduce costs by reducing inventory and timely shipment. Cross docking is a logistics strategy in which products delivered to a distribution centre by inbound trucks are directly unloaded and transferred to outbound trucks with minimum warehouse storage. Moreover, on-time delivery in a distribution network becomes very crucial especially when several distribution centres and customers are involved. Therefore, an efficient truck scheduling is needed to synchronize the delivery throughout the network in order to satisfy all stake-holders. This paper presents a mathematical model of a mixed integer programming for door assignment and truck scheduling in a multiple inbound and outbound doors cross docking problem according to Just-In-Time concept. The objective is to find the schedule of transhipment operations to simultaneously minimize the total earliness and total tardiness of trucks. Then, a multi-objective differential evolution (MODE) is proposed with an encoding scheme and four decoding strategies, called ITSH, ITDD, OTSH and OTDD, to find a Pareto frontier for the multi-door cross docking problems. The performances of MODE are evaluated using 15 generated instances. The numerical experiments demonstrate that the proposed algorithm is capable of finding a set of diverse and high quality non-dominated solutions.

• Journal of the Korean Chemical Society
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• v.62 no.2
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• pp.106-112
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• 2018

Ice-binding proteins have an affinity for ice. They create a gap between the melting and freezing points by inhibiting the growth of ice, known as thermal hysteresis (TH). Interestingly, moderately active LeIBP and hyperactive FfIBP are almost identical in primary and tertiary structures, but differ in TH activity. The TH of FfIBP is tenfold higher than that of LeIBP, due to a subtle difference in their ice-binding motifs. To further evaluate the difference in TH, the interactions were investigated by ice-etching and molecular docking. Ice-etching showed that FfIBP binds to the primary and secondary prism, pyramidal, and basal planes; previously, LeIBP was found to bind to the basal and primary prism planes. Docking analysis using shape complementarity (Sc) showed that the hyperactive FfIBP had higher Sc values for all four ice planes than LeIBP, which is comparable with TH. Docking can be used to describe the hyperactivity of IBPs.

• Journal of the Korea Safety Management & Science
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• v.4 no.3
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• pp.79-93
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• 2002

Cross docking is a material handling and distribution concept in which products move directly from receiving dock to shipping dock, without being stored in a warehouse or distribution center. Depending on the facility and operating conditions or strategies employed, it is possible to generate various cross docking scenarios or models. The cross docking model, which is studied in this research, assumes there are a separate receiving dock and a separate shipping dock. It is also assumed that the products contained in a receiving truck and the products needed for a shipping truck are known in advance. Furthermore, the study is restricted to scenarios where there is only one receiving dock and only one shipping dock at the warehouse. The research objective is to find the best truck spotting sequence for both receiving and shipping trucks to minimize total operation time (i.e., the makespan) of the cross docking system.

• Journal of Korean Institute of Industrial Engineers
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• v.37 no.3
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• pp.248-257
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• 2011

Cross docking is a logistics management concept in which items delivered to a terminal by inbound trucks are immediately sorted out, routed and loaded into outbound trucks for delivery to customers. Two main advantages by introducing a cross docking terminal are to consolidate multiple smaller shipment into full truck load and remove storage and order picking processes to save up logistics costs related to warehousing and transportation costs. This research considers the scheduling problem of trucks in the cross docking terminals with multi-door in an inbound and outbound dock, respectively. The trucks sequentially deal with the storage process at the one of inbound doors and the shipping process at the one of the outbound doors. A mathematical model for an optimal solution is derived, and genetic algorithms with two different chromosome representations are proposed. To verify performance of the GA algorithms, we compare the solutions of GAs with the optimal solutions and the best solution using randomly generated several examples.

• Journal of Integrative Natural Science
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• v.15 no.4
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• pp.179-186
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• 2022

The c-Jun N-terminal kinase (JNK3) play major role in neurodegenerative diseases like Alzheimer's disease, Parkinson's disease, cerebral ischemia and other Central Nervous System disorders. Since JNK3 is primarily stated in the brain and stimulated by stress-stimuli, this situation is conceivable that inhibiting JNK3 could be a possible treatment for the mechanisms underlying neurodegenerative diseases. In this study drugs from Zinc15 database were screened to identify the JNK3 inhibitors by Molecular docking and Density functional theory approach. Molecular docking was done by Autodock vina and the ligands were selected based on the binding affinity. Our results identified top ten novel ligands as potential inhibitors against JNK3. Molecular docking revealed that Venetoclax, Fosaprepitant and Avapritinib exhibited better binding affinity and interacting with proposed binding site residues of JNK3. Density functional theory was used to compute the values for energy gap, lowest unoccupied molecular orbital (LUMO), and highest occupied molecular orbital (HOMO). The results of Density functional theory study showed that Venetoclax, Fosaprepitant and Avapritinib serves as a lead compound for the development of JNK3 small molecule inhibitors.

• Journal of Navigation and Port Research
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• v.48 no.2
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• pp.116-124
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• 2024

Automatic docking of small planing ship is a critical aspect of maritime operations, requiring accurate prediction of motion states to ensure safe and efficient maneuvers. This study investigates the use of Artificial Neural Network (ANN) to predict motion state of a small planing ship to enhance navigation automation in port environments. To achieve this, simulation tests were conducted to control a small planing ship while docking at various heading angles in calm water and in waves. Comprehensive analysis of the ANN-based predictive model was conducted by training and validation using data from various docking situations to improve its ability to accurately capture motion characteristics of a small planing ship. The trained ANN model was used to predict the motion state of the small planning ship based on any initial motion state. Results showed that the small planing ship could dock smoothly in both calm water and waves conditions, confirming the accuracy and reliability of the proposed method for prediction. Moreover, the ANN-based prediction model can adjust the dynamic model of the small planing ship to adapt in real-time and enhance the robustness of an automatic positioning system. This study contributes to the ongoing development of automated navigation systems and facilitates safer and more efficient maritime transport operations.

• Journal of the Korea Safety Management & Science
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• v.10 no.2
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• pp.187-193
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• 2008

Cross docking is a warehouse management concept in which items delivered to a distribution facility by inbound trucks are immediately sorted out and reorganized based on customer demands and are routed and loaded into outbound trucks for delivery to customers without actually being held in inventory in the distribution facility. In this research, the design of distribution facility for cross docking systems was studied. The objective of this research is to find the minimum number of receiving docks and shipping docks, respectively, in order to meet the daily demand of the distribution center. Two solution approaches are employed in modeling and solving the problem The first approach is mathematical modeling and the second approach is a simulation. The logic developed in the simulation model is expected to apply to the real world situation.

• 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.