Search Results - "Lee, Juyong"

MolFinder: an evolutionary algorithm for the global optimization of molecular properties and the extensive exploration of chemical space using SMILES by Kwon, Yongbeom, Lee, Juyong

“…Here, we introduce a new molecule optimization method, MolFinder, based on an efficient global optimization algorithm, the conformational space annealing…”
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Chronic venous insufficiency and varicose veins of the lower extremities by Youn, Young Jin, Lee, Juyong

“…Chronic venous insufficiency (CVI) of the lower extremities manifests itself in various clinical spectrums, ranging from asymptomatic but cosmetic problems to…”
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Retrosynthetic reaction pathway prediction through neural machine translation of atomic environments by Ucak, Umit V., Ashyrmamatov, Islambek, Ko, Junsu, Lee, Juyong

“…Designing efficient synthetic routes for a target molecule remains a major challenge in organic synthesis. Atom environments are ideal, stand-alone, chemically…”
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V-Dock: Fast Generation of Novel Drug-like Molecules Using Machine-Learning-Based Docking Score and Molecular Optimization by Choi, Jieun, Lee, Juyong

“…We propose a computational workflow to design novel drug-like molecules by combining the global optimization of molecular properties and protein-ligand docking…”
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AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks by Kwon, Yongbeom, Shin, Woong-Hee, Ko, Junsu, Lee, Juyong

“…Accurate prediction of the binding affinity of a protein-ligand complex is essential for efficient and successful rational drug design. Therefore, many binding…”
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A-Prot: protein structure modeling using MSA transformer by Hong, Yiyu, Lee, Juyong, Ko, Junsu

“…The accuracy of protein 3D structure prediction has been dramatically improved with the help of advances in deep learning. In the recent CASP14, Deepmind…”
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Random forest-based protein model quality assessment (RFMQA) using structural features and potential energy terms by Manavalan, Balachandran, Lee, Juyong, Lee, Jooyoung

“…Recently, predicting proteins three-dimensional (3D) structure from its sequence information has made a significant progress due to the advances in…”
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Low Power CMOS-Based Hall Sensor with Simple Structure Using Double-Sampling Delta-Sigma ADC by Lee, Juyong, Oh, Younggyun, Oh, Sein, Chae, Hyungil

“…A CMOS (Complementary metal-oxide-semiconductor) Hall sensor with low power consumption and simple structure is introduced. The tiny magnetic signal from Hall…”
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Discovering patterns and trends in customer service technologies patents using large language model by Kim, Chaeyeon, Lee, Juyong

“…The definition of service has evolved from a focus on material value in manufacturing before the 2000s to a customer-centric value based on the significant…”
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A benchmark study of machine learning methods for molecular electronic transition: Tree‐based ensemble learning versus graph neural network by Kang, Beomchang, Seok, Chaok, Lee, Juyong

“…Fluorophores play crucial roles in chemical and biological imaging. An efficient computational model that evaluates the electronic properties of molecules…”
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Improving docking and virtual screening performance using AlphaFold2 multi-state modeling for kinases by Song, Jinung, Ha, Junsu, Lee, Juyong, Ko, Junsu, Shin, Woong-Hee

“…Structure-based virtual screening (SBVS) is a crucial computational approach in drug discovery, but its performance is sensitive to structural variations…”
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Readout Integrated Circuit for Small-Sized and Low-Power Gas Sensor Based on HEMT Device by Lee, Seungjun, Jin, Joohwan, Baek, Jihyun, Lee, Juyong, Chae, Hyungil

“…This paper presents a small-sized, low-power gas sensor system combining a high-electron-mobility transistor (HEMT) device and readout integrated circuit…”
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Identifying the Hot Spot Residues of the SARS-CoV-2 Main Protease Using MM-PBSA and Multiple Force Fields by Byun, Jinyoung, Lee, Juyong

“…In this study, we investigated the binding affinities between the main protease of SARS-CoV-2 virus (Mpro) and its various ligands to identify the hot spot…”
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Hierarchical Mobile Edge Computing Architecture Based on Context Awareness by Lee, Juyong, Lee, Jihoon

“…Due to the recent developments in mobile network technology and the supply of mobile devices, services that require high computing power and fast access speed,…”
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Hidden information revealed by optimal community structure from a protein-complex bipartite network improves protein function prediction by Lee, Juyong, Lee, Jooyoung

“…The task of extracting the maximal amount of information from a biological network has drawn much attention from researchers, for example, predicting the…”
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S-Pred: protein structural property prediction using MSA transformer by Hong, Yiyu, Song, Jinung, Ko, Junsu, Lee, Juyong, Shin, Woong-Hee

“…Predicting the local structural features of a protein from its amino acid sequence helps its function prediction to be revealed and assists in…”
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Origin of pKa Shifts of Internal Lysine Residues in SNase Studied Via Equal-Molar VMMS Simulations in Explicit Water by Wu, Xiongwu, Lee, Juyong, Brooks, Bernard R

“…Protein internal ionizable groups can exhibit large shifts in p K a values. Although the environment and interaction changes have been extensively studied both…”
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What stabilizes close arginine pairing in proteins? by Lee, Dongseon, Lee, Juyong, Seok, Chaok

“…Close stacking of arginine residues are often observed in protein structures despite the highly repulsive nature of the close like-charged groups. Physical…”
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Finding multiple reaction pathways via global optimization of action by Lee, Juyong, Lee, In-Ho, Joung, InSuk, Lee, Jooyoung, Brooks, Bernard R.

“…Global searching for reaction pathways is a long-standing challenge in computational chemistry and biology. Most existing approaches perform only local…”
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Improving the quality of chemical language model outcomes with atom-in-SMILES tokenization by Ucak, Umit V., Ashyrmamatov, Islambek, Lee, Juyong

“…Tokenization is an important preprocessing step in natural language processing that may have a significant influence on prediction quality. This research…”
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