• 제어로봇시스템학회논문지
• /
• 제18권9호
• /
• pp.830-836
• /
• 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
• /
• 제28권2호
• /
• pp.211-219
• /
• 2007

The subtle but significant differences and thereby the lack of consensus in active site structures among the crystal structures of cyclin-dependent kinase 2 (CDK2) has hampered structure-based drug design. In this study, we devised a simple but effective ‘mutation, pharmacophore-guided docking, followed by mutation' strategy to generate an “average” CDK2 structure, which was used for ligand docking study to successfully reproduce 30 out of 32 X-ray ligand positions within 2.0 A of heavy atom RMSD. This novel docking method was applied for structure-based 3D QSAR with CoMSIA study of a series of structurally related ligands, which showed a good discrimination between CDK2 binders and nonbinders.

• 통합자연과학논문집
• /
• 제10권3호
• /
• pp.137-140
• /
• 2017

Diabetes mellitus has become a major growing public health problem worldwide. More than 90% of all diabetes cases are classified as type 2 diabetes (T2D), which is also known as non-insulin dependent diabetes. Protein tyrosine phosphatase 1B (PTP1B) plays an important role in the negative regulation of insulin signal transduction pathway and has emerged as novel therapeutic strategy for the treatment of type 2 diabetes. PTP1B inhibitors enhance the sensibility of insulin receptor (IR) and have favorable curing effect for insulin resistance-related diseases. Recently twelve anti-diabetic xanthones were isolated from the bark of Garcinia xanthochymus. Hence, in the present study, molecular docking was carried out for these twelve xanthones. The objective of this work is to study the interaction of the newly isolated xanthones with PTP1B. The docking results showed that xanthones have good interactions and has better docking score with PTP1B and suggest LYS120 and ASP181 are the important residues involved in interaction between PTP1B enzyme and the xanthones.

• 통합자연과학논문집
• /
• 제6권2호
• /
• pp.100-103
• /
• 2013

Using computational approaches we can dock small molecules into the structures of Macromolecular targets and then score their potential complementarity to binding sites is widely used in hit identification and lead optimization techniques. This review seeks to provide the application of docking in structure-based drug design (binding mode prediction, Lead Identification and Lead optimization), and also discussed how to manage errors in docking methodology in order to overcome certain limitations of docking and scoring algorithm.

• 통합자연과학논문집
• /
• 제11권1호
• /
• pp.25-29
• /
• 2018

Protein phosphatase manganese dependent 1D (PPM1D), a Ser/Thr protein phosphatise, play major role in the cancer tumorigenesis of various tumors including neuroblastoma, pancreatic adenocarcinoma, medulloblastoma, breast cancer, prostate cancer and ovarian cancer. Hence, analysis on the structural features required for the formation of PPM1D-inhibitor complex becomes essential. In this study, we have performed molecular docking of SL-175 and -176 and protein-protein docking of CDC5L with PPM1D. On analysing the docked complexes, we have identified the important residues involved in the formation of protein-ligand complex. Research concentrating on these residues could be helpful in understanding the pathophysiology of various tumors related to PPM1D.

• 통합자연과학논문집
• /
• 제9권1호
• /
• pp.23-27
• /
• 2016

Hepatitis B virus is the leading source of liver disorders and is a global health problem and needs advancements in its treatment against increasing problems. Recently five vanitaracin derivatives were isolated from the fungus Talaromyces species which have anti-Hepatitis B virus activity. Hence, in the present study, molecular docking was carried out with five vanitaracin derivatives isolated from Talaromyces species and three known inhibitors.The objective of this work is to study the interaction of newly isolated compounds and compare its interaction with known inhibitors. The docking results revealed that vanitaracin derivatives have good interactions and has better docking score with the Hepatitis B virus and suggest SER2, SER4 and ASP30 are important residues involved in interaction with the inhibitors. These result authenticates vanitaracin derivatives contributes to inhibitory activity of Hepatitis B virus to treat liver disorders.

• 센서학회지
• /
• 제26권3호
• /
• pp.199-203
• /
• 2017

In this paper, we developed an underwater localization system for underwater robot docking using the electromagnetic wave attenuation model. Electromagnetic waves are generally known to be impossible to use in water environment. However, according to the conclusions of the previous studies on the attenuation characteristics in underwater, the attenuation pattern is uniform and its model was accurately proposed and verified in 3-dimensional space via the omnidirectional antenna. In this paper, a docking structure and localization sensor system are developed for a widely used cone type docking mechanism. First, we fabricated electromagnetic wave range sensor transmit modules. And a mobile sensor node is equipped with unmanned underwater vehicle(UUV)s. The mobile node senses the four different signal strength (RSS: Received Signal Strength) from fixed nodes, and the obtained RSS data are transformed to each distance information using the 3-Dimensional EM wave attenuation model. Then, the relative localization between the docking area and underwater robot can be achieved according to optimization algorithm. Finally, experimental results show the feasibility of the proposed localization system for the docking induction by comparing the errors in the actual position of the mobile node and the theoretical position through the model.

• 통합자연과학논문집
• /
• 제2권2호
• /
• pp.55-58
• /
• 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.

• 항공우주시스템공학회지
• /
• 제18권2호
• /
• pp.47-55
• /
• 2024

공중 무인 이동체(UAV)인 드론을 해상 무인 이동체(USV)와 자율 협력하여 임무를 수행하기 위해선 자동 착륙 시스템이 필요하다. 본 논문에서는 피라미드 형상의 착륙 장치와 패드를 기반으로 한 도킹 방식의 자동 착륙 시스템을 제안하였다. 파도, 바람 등 해상 환경에 의해 영향을 받더라도 드론이 착지할 수 있도록 유도하고, 결합(Docking) 장치를 통해 순간적으로 고정할 수 있다. 3-DoF 모션 플랫폼으로 함상의 거동을 모사하여 착륙 시험을 수행하였으며, 도킹 방식 자동 착륙 시스템의 운용·활용 가능성을 확인하였다.

• 컴퓨터교육학회논문지
• /
• 제9권4호
• /
• pp.63-74
• /
• 2006

분자 다킹은 신약, 신소재, 고분자의 개발 과정에서 대규모의 화학분자 데이터베이스의 화학분자 데이터들을 실제 실험을 통하지 않고 시뮬레이션을 통해 한정된 화학 분자만을 스크링하는 과정이다. 분자 다킹은 대규모 컴퓨팅 파워와 데이터 저장 용량을 요구하는 대표적인 대규모의 과학 어플리케이션이다. 기존의 분자 다킹 어플리케이션들은 슈퍼컴퓨터, 클러스터, 워크스테이션 등을 이용하여 작업을 수행하도록 개발되었다. 하지만 슈퍼컴퓨터를 이용한 분자 다킹은 너무 많은 비용이 든다는 문제점이 있고, 클러스터나 워크스테이션을 이용한 분자 다킹은 오랜 수행 시간이 요구된다는 문제점을 가지고 있다. 이에 본 논문에서는 그리드 서비스 기반 분자 다킹 어플리케이션을 제안하였다. 이를 위해 본 논문에서는 효율적인 분자 다킹 서비스를 제공하기 위해 자원 브로커와 데이터 브로커를 설계하고, 분자 다킹을 위한 다양한 그리드 서비스들을 개발하였다.