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Recent papers

Quantitative comparison of protein-protein interaction interface using physicochemical feature-based descriptors of surface patches Frontiers in Molecular Biosciences 2023, 10.

Synthesis and crystal structure of (E)-2-benzyl-1,3-diphenylisothiouronium iodide Acta Crystallographica Section E: Crystallographic Communications 2022, 78, 51–53.

Synthesis of 4-substituted benzyl-2-triazole-linked-tryptamine-paeonol derivatives and evaluation of their selective inhibitions against butyrylcholinesterase and monoamine oxidase-B International Journal of Biological Macromolecules 2022, 217, 910–921.

Surface-based protein domains retrieval methods from a SHREC2021 challenge Journal of Molecular Graphics and Modelling 2022, 111.

S-Pred: protein structural property prediction using MSA transformer Scientific Reports 2022, 12 (1), 13891–0.

Analysis on the Characteristics of Academic Achievement of Middle School Students about ‘composition of matter’: Focusing on the Results of the National Assessment of Educational Achievement (NAEA) Journal of the Korean Chemical Society 2022, 66 (2), 136–149.

Two-dimensional Zn(II) coordination polymer and hydrogen bond-mediated two-dimensional Cu(II) network based on trans-2-aminocyclopentanecarboxylate Bulletin of the Korean Chemical Society 2022.

Programmed hierarchical radial association of anisotropic foldamer assemblies Nanoscale 2022, 14 (5), 1700–1705.

Ligand structure effect in oil-soluble phosphorus-containing molybdenum precursors for slurry-phase hydrocracking of heavy oil Journal of Catalysis 2021, 402, 194–207.

Crystal structure of [3,10-bis(4-fluorophenethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]nickel(II) diperchlorate Acta Crystallographica Section E: Crystallographic Communications 2021, 77, 148–152.

Exploring safe and potent bioactives for the treatment of non-small cell lung cancer 3 Biotech 2021, 11 (5).

SHREC 2021 Track: Retrieval and classification of protein surfaces equipped with physical and chemical properties Computers and Graphics (Pergamon) 2021, 99, 1–21.

Current progress and future perspectives of polypharmacology: From the view of non-small cell lung cancer Seminars in Cancer Biology 2021, 68, 84–91.

SHREC 2021: Surface-based protein domains retrieval Eurographics Workshop on 3D Object Retrieval, EG 3DOR 2021.

Discovery of a potent candidate for ret-specific non-small-cell lung cancer—a combined in silico and in vitro strategy Pharmaceutics 2021, 13 (11).

Conformational Adaptation of β-Peptide Foldamers for the Formation of Metal–Peptide Frameworks Angewandte Chemie - International Edition 2021.

Geomimetic Hydrothermal Synthesis of Polyimide-Based Covalent Organic Frameworks Angewandte Chemie - International Edition 2021.

Morphology Transformation of Foldamer Assemblies Triggered by Single Oxygen Atom on Critical Residue Switch Small 2021, 17 (36).

One-Pot Synthesis of Ternary Alloy Hollow Nanostructures with Controlled Morphologies for Electrocatalysis ACS Applied Materials and Interfaces 2021, 13 (38), 45538–45546.

Performance and enhancement of the LZerD protein assembly pipeline in CAPRI 38-46 Proteins: Structure, Function and Genetics 2020, 88 (8), 948–961.

Current challenges and opportunities in designing protein–protein interaction targeted drugs Advances and Applications in Bioinformatics and Chemistry 2020, 13, 11–25.

AK-score: Accurate protein-ligand binding affinity prediction using an ensemble of 3D-convolutional neural networks International Journal of Molecular Sciences 2020, 21 (22), 1–16.

Middle school science gifted students' perceptions of the effectiveness of science classes using science writing heuristic Journal of the Korean Chemical Society 2020, 64 (5), 277–290.

Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment Proteins: Structure, Function and Genetics 2019, 87 (12), 1200–1221.

55 Years of the Rossmann Fold Methods in Molecular Biology 2019, 1958, 1–13.

Implementation of pharmacophore-based 3D QSAR model and scaffold analysis in order to excavate pristine ALK inhibitors Medicinal Chemistry Research 2019, 28 (10), 1726–1739.

Predicting binding poses and affinity ranking in D3R Grand Challenge using PL-PatchSurfer2.0 Journal of Computer-Aided Molecular Design 2019, 33 (12), 1083–1094.

Lactose derivatives as potential inhibitors of pectin methylesterases International Journal of Biological Macromolecules 2019, 132, 1140–1146.

Three-dimensional Krawtchouk descriptors for protein local surface shape comparison Pattern Recognition 2019, 93, 534–545.

A prospective compound screening contest identified broader inhibitors for Sirtuin 1 Scientific Reports 2019, 9 (1).

Spontaneous Nanobelt Formation by Self-Assembly of β-Benzyl GABA Chemistry - An Asian Journal 2019, 14 (11), 1945–1948.

Directing Foldamer Self-Assembly with a Cyclopropanoyl Cap Chemistry - A European Journal 2019, 25 (9), 2226–2233.

Self-Assembly of a β-Peptide Foldamer: The Role of the Surfactant in Three-Dimensional Shape Selection ChemPlusChem 2019, 84 (5), 481–487.

Improved performance in CAPRI round 37 using LZerD docking and template-based modeling with combined scoring functions Proteins: Structure, Function and Genetics 2018, 86, 311–320.

Virtual ligand screening using PL-PatchSurfer2, a molecular surface-based protein–ligand docking method Methods in molecular biology (Clifton, N.J.) 2018, 1762, 105–121.

Modeling the assembly order of multimeric heteroprotein complexes PLoS Computational Biology 2018, 14 (1).

The effect of high school research project using the science writing heuristic Journal of the Korean Chemical Society 2018, 62 (5), 398–411.

Synthesis and Characterization of an Open and a Cyclic Polyaza Complexes of Copper(II) Having Caged Moiety; Cyclization Through Copper(II) Enhanced Hydrolysis from Nitrile to Amide Bulletin of the Korean Chemical Society 2017, 38 (12), 1387–1391.

Human and server docking prediction for CAPRI round 30-35 using LZerD with combined scoring functions Proteins: Structure, Function and Genetics 2017, 85 (3), 513–527.

GalaxyDock BP2 score: a hybrid scoring function for accurate protein–ligand docking Journal of Computer-Aided Molecular Design 2017, 31 (7), 653–666.

In silico structure-based approaches to discover protein-protein interaction-targeting drugs Methods 2017, 131, 22–32.

Discovery of Nicotinamide Adenine Dinucleotide Binding Proteins in the Escherichia coli Proteome Using a Combined Energetic- and Structural-Bioinformatics-Based Approach Journal of Proteome Research 2017, 16 (2), 470–480.

An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes Scientific Reports 2017, 7 (1).

Prediction of Local Quality of Protein Structure Models Considering Spatial Neighbors in Graphical Models Scientific Reports 2017, 7.

Structural analysis of the foldecture derived from racemic peptide foldamers Solid State Sciences 2017, 70, 1–5.

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