• Title/Summary/Keyword: NOE

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Refinement of protein NMR structures using atomistic force field and implicit solvent model: Comparison of the accuracies of NMR structures with Rosetta refinement

  • Jee, Jun-Goo
    • Journal of the Korean Magnetic Resonance Society
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    • v.26 no.1
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    • pp.1-9
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    • 2022
  • There are two distinct approaches to improving the quality of protein NMR structures during refinement: all-atom force fields and accumulated knowledge-assisted methods that include Rosetta. Mao et al. reported that, for 40 proteins, Rosetta increased the accuracies of their NMR-determined structures with respect to the X-ray crystal structures (Mao et al., J. Am. Chem. Soc. 136, 1893 (2014)). In this study, we calculated 32 structures of those studied by Mao et al. using all-atom force field and implicit solvent model, and we compared the results with those obtained from Rosetta. For a single protein, using only the experimental NOE-derived distances and backbone torsion angle restraints, 20 of the lowest energy structures were extracted as an ensemble from 100 generated structures. Restrained simulated annealing by molecular dynamics simulation searched conformational spaces with a total time step of 1-ns. The use of GPU-accelerated AMBER code allowed the calculations to be completed in hours using a single GPU computer-even for proteins larger than 20 kDa. Remarkably, statistical analyses indicated that the structures determined in this way showed overall higher accuracies to their X-ray structures compared to those refined by Rosetta (p-value < 0.01). Our data demonstrate the capability of sophisticated atomistic force fields in refining NMR structures, particularly when they are coupled with the latest GPU-based calculations. The straightforwardness of the protocol allows its use to be extended to all NMR structures.

Complete Relaxation and Conformational Exchange Matrix (CORCEMA) Analysis of Saturation Transfer Difference (STD) NMR Spectra of Ligand-Protein Complexes

  • Krishna, N.Rama;Jayalakshmi, V.
    • Journal of the Korean Magnetic Resonance Society
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    • v.6 no.2
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    • pp.94-102
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    • 2002
  • An interesting recent application of intermolecular NOE experiment is the saturation transfer difference NMR(STD-NMR) method that is useful in screening compound libraries to identify bio-active ligands. This technique also identifies the group epitopes of the bound ligand in a reversibly forming protein-ligand complex. We present here a complete relaxation and conformational exchange matrix (CORCEMA) theory (Moseley et al., J. Magn. Reson. B, 108, 243-261 (1995)) applicable for the STD-NMR experiment. Using some ideal model systems we have analyzed the factors that influence the STD intensity changes in the ligand proton NMR spectrum when the resonances from some protons on the receptor protein are saturated. These factors will be discussed and some examples of its application in some model systems will be presented. This CORCEMA theory for STD-NMR and the associated algorithm are useful in a quantitative interpretation of the STD-NMR effects, and are likely to be useful in structure-based drug design efforts. They are also useful in a quantitative characterization of protein-protein (or protein-nucleic acid) contact surfaces from an intermolecular cross-saturation NMR experiment.

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Overfishing and recent risk for collapse of fishery in coastal Mediterranean lagoon ecosystem (Karavasta lagoon, southeastern Adriatic sea)

  • Spase Shumka;Yukio Nagahama;Sarjmir Hoxha;Koji Asano
    • Fisheries and Aquatic Sciences
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    • v.26 no.4
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    • pp.294-303
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    • 2023
  • Beside that the fish species and their sub-populations are highly important as a keystone species in the coastal and marine ecosystem, there are very few studies on their presence, distribution and temporal variations within and around the lagoon ecosystems in Albania. This paper provides an updated review on the life cycle, fishery, exploitation state and management of the main species that are subject of commercial fishing in the Karavasta lagoon, southeastern Adriatic coast of Albania. Due to the fact that lagoons represent a continuum between continental and marine aquatic ecosystems they play a crucial role in species life cycles. Further on in the circumstances of rapid utilizations and environmental changes, anomalies in salinity and temperatures, accelerated anthropogenic influences their rate of vulnerability is highly increased. Following the requirements of the Water Framework Directive, transitional water, coastal lagoons and estuaries there is a need for urgent monitoring and management approaches. The commercial species include: European eel (Anguilla anguilla), species of Family Mugilidae (Mugil cephalus, Liza ramada, Liza salienes and Chelon labrosus), Seabream (Sparus aurata), Seabass (Dincentrarchus labrax), etc. Fish productivity is oscillating from maximum value of 61.95 kg/ha is recorded in period of 1975-80 and lower value of 31 kg/ha in year 2020. Our study highlights importance of fish and fishery long-term monitoring, and contributes to understand the driving factors in productivity, migration patterns and species ecology in the vital coastal ecosystems.

Enhanced Index Assignment for Beamforming with Limited-rate Imperfect Feedback (피드백 에러가 있는 빔포밍 시스템에서 개선된 인덱스 배치기법)

  • Park, Noe-Yoon;Kim, Young-Ju
    • Journal of the Institute of Electronics Engineers of Korea TC
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    • v.49 no.5
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    • pp.7-14
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    • 2012
  • The quantized beamforming systems always need the channel state information, which must be quantized into a finite set of vectors (named codebook), and feedback only sends the index representing the desired vector. Thereby it minimized the impact of feedback errors, caused by feedback overhead and delay. In this regard, index assignment (IA) methods, an exhaustive-search and group-based schemes, have been presented for minimizes the performance degradation without additional feedback bits. In this paper, we proposed enhanced group-based IA method, which used the optimal codebook design with chordal distance, having the adaptive properties in application of the existing IA methods. When the number of transmit antennas is 4 and LTE codebook is used, Monte-Carlo simulations verify that the proposed scheme has a power advantage of 0.5~1dB to obtain the same bit error rate than methods without IA, and it has 0.1~0.2 dB better performance compared with the existing IA methods over same environment.

Preformance Analysis of LTE-A System Uplink with Differential Precoding Scheme (차분 선부호화 구조를 적용한 LTE-A 상향링크 시스템의 성능분석)

  • Li, Xun;Park, Noe-Yoon;Kim, Young-Ju
    • Journal of the Institute of Electronics Engineers of Korea TC
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    • v.49 no.5
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    • pp.37-43
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    • 2012
  • The closed-loop multiple-input multiple-output (MIMO) system has been adopted by long term evolution (LTE) system. Many techniques are proposed to enhance the transmission of LTE's advanced version to meet the increasing requirement, in which differential codebook gains a lot of interest. Previous researches on designing differential codebooks focused on quasi-diagonal unitary matrix which cannot guarantee the equal gain property. The equal gain property is very important to uplink because the performance of uplink is very sensitive to the peak-to-average power ratio (PAPR). In this paper, we derive the analytical expression of average bit error rate and PAPR for differential precoding MIMO system. Using the analytical results, we investigate the performances of several differential precoding schemes considering non-linear amplifier at the transmitter. Some selected simulation results indicate that the conventional differential precoding schemes have good performances without the consideration of non-linear amplifier. While considering non-linear amplifier, the proposed differential codebook outperforms other differential precoding schemes because it maintains the equal gain per transmit antenna.

Performance Analysis of Dual-Layer Differential Precoding Technique Using 8-PSK Constellation (8-PSK 성운을 이용하는 이중계층 차분 선부호화 기법의 성능 분석)

  • Park, Noe-Yoon;Kim, Young-Ju
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.38A no.5
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    • pp.401-408
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    • 2013
  • Dual-layer differential codebook using 8-PSK (phase shift keying) constellation as its codeword elements, is proposed for Long term evolution (LTE) and/or LTE-Advanced systems. Due to the temporal correlation of the adjacent channel matrices, the consecutive precoding matrices are likely to be similar. This approach quantize only the differential information of the channel instead of the whole channel subspace, which virtually increase the codebook size to realize more accurate quantization of the channel. Especially, the proposed codebook has the same properties of LTE release-8 codebook that is, constant modulus, complexity reduction, and nested property. The mobile station can be designed by using less expensive non-linear amplifier utilizing constant modulus property. Computer simulations show that the capacity of the proposed dual-layer codebook performs almost 1.2dB better than those of any other non-differential codebooks with the same amount of feedback information.

A Study on the Concept Recognition Possibility of Ecorefugee

  • Park, Jong-Ryeol;Noe, Sang-Ouk
    • Journal of the Korea Society of Computer and Information
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    • v.21 no.5
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    • pp.177-184
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    • 2016
  • Since 1980s, 30 years has passed after issues on environmental refugee began to appear. However, why environmental refugee is not considered as refugee officially in international society? Above all, it seems that main point is the responsibility given to those developed countries if they, whom led the climate changes, officially acknowledge environmental refugee. The problem is that environmental refugee has no direct responsibility for causing climate changes. Actually. the responsibility should be granted to the developed and industrialized countries which caused climate changes. In accordance to the refugee protection system established under current international law, it is difficult to include them into refugee category and thus, they can hardly have enough support. It is urgently needed that new refugee treat which have the new standard and solution added to it shall be adopted. To allow new refugee treat to be effective it is compulsory to have constant and binding policy determination and willingness of execution from a united international organization. Of course, before this, countries should try to have common recognition on recognizing new refugee problem and its seriousness as well as solving those problems together. In reality, it is worth considering adoption of semi-forceable type of system as a more effective way, which allocates responsibility of accepting refugee by amount of carbon emitted. Also, as refugee issue has an important influence on mother company and the third countries, execution process of the system has to be defined clearly. For those permanent organizations, they should accurately define environmental factors making refugee and set standards to minimize possibility of abuse and misuse.

Study on the Improvement of Laws Related to the Electromagnetic Wave of Mobile Phones

  • Park, Jong-Ryeol;Noe, Sang-Ouk
    • Journal of the Korea Society of Computer and Information
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    • v.25 no.10
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    • pp.231-240
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    • 2020
  • Countries around the world have already taken direct and indirect measures to warn of the harmful effects of mobile phone electromagnetic waves. On the other hand, in the Republic of Korea the installation of Wi-Fi has been expandedwithout restrictions by location, and there is a widespread atmosphere of protesting human rights violations even if young students cannot use mobile phones, ignoring problems caused by the use of mobile phones. Human brain cells are increasingly exposed to electromagnetic waves of mobile phones as the penetration rate of smartphones grows.In order to solve the long-lasting question of whether electromagnetic waves from mobile phones will harm the human body, many studies are being conducted in various countries around the world, andthe recently published findingshave warned of the potential for harm. The labeling of electromagnetic waves alone is not sufficient to raise awareness about the dangers of electromagnetic waves. It is necessary that the Republic of Korea organize and operate a national electromagnetic wave research center in line with its status as an IT powerhouse, along with the revision of the Radio Wave Act, which directly warns the public about the hazards of mobile phone electromagnetic waves and can directly impose obligations on the mobile phone industry.

A CLINICAL STUDY ON NASO-ORBITO-ETHMOIDAL FRACTURES (비-안와-사골 복합골절에 관한 임상적 연구)

  • Kim, Soo-Nam;Lee, Dong-Keun;Min, Seung-Ki;Oh, Sung-Hwan;Choi, Moon-Gi;Park, Hwa-Kyu
    • Maxillofacial Plastic and Reconstructive Surgery
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    • v.21 no.3
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    • pp.277-283
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    • 1999
  • This study was aimed at furnishing the data of Naso-orbito-ethmoidal fractures and aiding treatmenting Naso-orbito-ethmoidal fractures A 5-year review of Naso-orbito-ethmoidal fractures and concomitant injuries is presented. The patients were treated in the Dept. of Oral and Maxillofacial Surgery of Wankwang University Hospital from Jan. 1, 1993 to Dec. 31, 1997. The results were as followes: Male predominated over female by a ratio of 4.6 : 1. The most common reasons is traffic accident(88.2%). The elapsed time from injury to operation is average 9.2 days, and the mean admission days were 79 days and removal of plates were average 217.3 days. The most associated facial bone fractures is Zygomatico-Maxillary complex fracture(20%). Associated injuries were neurologic injury(29.4%), orthopedic injury(23.5%), opthalmologic injury(17.6%), body injury(5.8%), neuropsychologic injury(5.8%) and otolaryngologic injury(5.8%) in this order. The most injured teeth were upper and lower incisors. The intubation methods for surgery were orotracheal(29.57%), submental(29.5%), and nasotracheal technique(41%). Most patients had complications, that were post-traumatic telecanthus, nasal depression, scar formation. This results suggest that early diagnosis and treatment is prerequisits to satisfactory result. Aggressive management of NOE fracture with direct or bicoronal exposure with aid of CT is now an accepted norm.

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Study on improvement of legislation for elderly welfare

  • Park, Jong-Ryeol;Noe, Sang-Ouk
    • Journal of the Korea Society of Computer and Information
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    • v.25 no.3
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    • pp.219-227
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    • 2020
  • It is expected that Korea will be entering with super aged society with its rapid changing to aging society compare to other developed countries. Such phenomenon is recognized from a long time ago and government has enacted Elderly Long Term Convalescence Insurance Regulation back in 1999. However, different from its actual purpose, there are many problems and improvements to be made, leading to legislative revision for several times. Still, it is left with many issues. This is one example showing there has been a continuous problem with elderly long term convalescence insurance system. Even this system in Germany which have started 4 years before us is to continuously revising regulation by raising issues to make strong structure for elderly welfare and long term convalescence, aiming to enhance life of elderly people by providing detailed standard for convalescence. Elderly related legal systematization may not enhance their welfare service or daily life right away. However, if details in regulation and its theory is systematically arranged, this will greatly reduce administrative confusion as well as increasing understanding and use of this system for the nation.