이경훈 교수

Drug-likeness prediction is important for the virtual screening of drug candidates. It is challenging because the drug-likeness is presumably associated with the whole set of necessary properties to pass through clinical trials, and thus no definite data for regression is available. Recently, binary classification models based on graph neural networks have been proposed but with strong dependency of their performances on the choice of the negative set for training. Here we propose a novel unsupe

c-Jun N-terminal kinase (JNK) is activated during hepatic reperfusion, and JNK inhibitors are known to protect other major organs from ischemia-reper-fusion (I/R) injury. We attempted to determine the effect of SP600125, a JNK inhibitor, on hepatic I/R injury using a partial ischemia model in mice. Compared to a vehicle-treated group, the SP600125- treated group showed a greater increase in serum ALT levels 24 h after reperfusion with more severe parenchymal destruction and leukocyte infiltratio

Background: Early diagnosis of HIV infection reduces morbidity and mortality. Fourth-generation HIV detection assays are more sensitive because they can detect p24 antigen as well as anti-HIV antibodies. In this study, we evaluated the performance of a new fourth-generation ADVIA Centaur HIV antigen/antibody combo (CHIV) assay (Siemens Healthcare Diagnostics Inc., USA) for early detection of HIV infection and reduction of false positive rate. Methods: Four seroconversion panels were included. Th

A method for adaptation of the basis matrix of the gray-scale function processing (FP) opening and closing under the least mean square (LMS) error criterion is presented. We previously proposed the basis matrix for efficient representation of opening and closing (see IEEE Trans. Signal Processing, vol.43, p.3058-61, Dec. 1995 and IEEE Signal Processing Lett., vol.2, p.7-9, Jan. 1995). With this representation, the opening and closing operations are accomplished by a local matrix operation rather

Abstract Chemical reaction networks are essential for the complete elucidation of chemical reaction mechanisms. Graph‐theoretic methods combined with quantum calculations are known to be an efficient approach with broad applicability for constructing reaction networks. However, this method entails high computational cost due to quantum calculations on chemically irrelevant intermediates coming from the exploration of a large scale chemical space. To remedy this problem, we propose to apply the M

Principal Component Analysis (PCA), also known as Proper Orthogonal Decomposition (POD), is one of the prevailing Reduced Order Modeling (ROM) techniques for aerodynamic data analysis. Along with the PCA, its variant for missing data, gappy POD, has recently found its application by transforming problems into missing data problems. In this paper, an alternative based on probability theory, i.e., Probabilistic Principal Component Analysis (PPCA), is employed for aerodynamic data reconstruction pr

This paper introduces a new two-step procedure for PWR depletion analyses. This procedure adopts the albedo-corrected parameterized equivalence constants (APEC) method to correct the lattice-based raw cross sections (XSs) and discontinuity factors (DFs) by accounting for neutron leakage. The intrinsic limitations of the conventional two-step methods are discussed by analyzing a 2-dimensional SMR with the commercial DeCART2D/MASTER code system. For a full-scope development of the APEC correction,

본 논문에서는 무선 통신에 사용되는 저 전력 통신 기법들에 대해 살펴보고 초 저 전력 무선통신이 가능한 능동형 RFID(Radio Frequency Identification) 시스템에 적용할 수 있는 새로운 프로토콜과 알고리즘을 제안한다. 제안된 기술을 바탕으로 MCU와 RF Transceiver, 칩 안테나 등을 이용하여 송수신 모듈을 구성하였고 내부 전원을 위해 리튬 코인 배터리를 사용하였다. 구현된 리더와 태그의 실험을 통해 송신 시 초당 약 <TEX>$10{\mu}A$</TEX> 이하, 수신 시 초당 약 <TEX>$30{\mu}A$</TEX> 이하의 소비 전류를 측정하였고 이를 바탕으로 초 저 전력 무선통신이 가능함을 확인하였다. 이러한 결과는 수신되는 패킷의 도착 시간을 동적으로 예측하는 알고리즘으로 가능하며 장시간 통신할 때에도 방전되지 않는 조건 하에 링크가 끊어지지 않은 장점을 가지고 있어 오작동을 막고 응답성을 향상시킬 수 있음을 나타낸다. In this paper

The identification of flow characteristics and the reduction of high-dimensional simulation data have capitalized on an orthogonal basis achieved by proper orthogonal decomposition (POD), also known as principal component analysis (PCA) or the Karhunen-Loeve transform (KLT). In the realm of aerospace engineering, an orthogonal basis is versatile for diverse applications, especially associated with reduced-order modeling (ROM) as follows: a low-dimensional turbulence model, an unsteady aerodynami

본 논문에서는 동기식 디지털 통신 프로토콜을 사용하여 노드 간 견고한 링크를 유지하고 초 저 전력 통신을 수행할 수 있는 고유의 시스톨릭(systolic) 구조 및 통신 알고리즘을 제안한다. 이 시스템은 CC2500 RF 트랜시버, CC2590 RF 프론트 엔드 및 C8051F330 저 전력 마이크로컨트롤러를 사용하여 설계 및 평가 되었고 구현된 링크 노드의 전력소모는 320bps의 데이터 전송 속도에서 <TEX>$400{\mu}W$</TEX> 이하로 측정되었다. 구현된 시스템은 각각 센서 노드 8개를 연결할 수 있는 링크 노드 7개로 구성된 저 전력 무선 센서 네트워크를 구성하는 기본 장치의 기능을 가지고 있다. 실험을 통해 링크 노드는 4Ah의 배터리를 사용하는 경우 4초의 주기로 3년 이상의 배터리 무교체 동작을 구현할 수 있다. In this paper, we propose a unique systolic structure and communication algorithm t

Elucidating transition states (TSs) is crucial for understanding chemical reactions. The reliability of traditional TS search approaches depends on input conformations that require significant effort to prepare. Previous automated methods for generating input reaction conformations typically involve extensive exploration of a large conformational space. Such exhaustive search can be complicated by the rapid growth of the conformational space, especially for reactions involving many rotatable bon

Conformer generation is crucial for computational chemistry tasks such as structure-based modeling and property prediction. Although reliable methods exist for organic molecules, coordination complexes remain challenging due to their diverse coordination geometries, ligand types, and stereochemistry. Current tools often lack the flexibility and reliability required for these systems. Here, we introduce MetalloGen, a novel algorithm designed for the automated generation of 3D conformers of mononu