Synthesis, crystal structures, and deprotonation of cis- and trans-octahedral nickel(II) complexes with a 14-membered tetraaza macrocycle bearing two N-phenacyl pendant arms, inorg. Chim. Acta, 2012, 387, 346.
Cycloaddition of salicylaldehyde to nitrile: Synthesis and characterization of new macrocyclic copper(II) complexes bearing a heterobicyclic functional group, Inorg. Chim. Acta, 2013, 396, 10
Dimeric Ni(II)2 and polymeric Ni(II)4Fe(II) type complexes bridged with Cl- and CN- ligands: X-ray structures and magnetic properties of a dimeric complex of [(tren)Ni(m-Cl)2Ni(tren)](ClO4)2 and a polymeric complex of [{[Fe(CN)6][Ni(tren)]2[Ni(tren)(H2O)]2}Cl2(ClO4)2?4H2O, Inorg. Chem. Comm. 2013, 33, 95.
Reduction of N-Cyanomethyl Groups on a Macrocyclic Nickel(II) Complex Using Sodium Borohydride: Synthesis of a Complex Bearing Two N-(2-Aminoethyl) Pendant Arms, Bull. Kor. Chem. Soc. 2014, 35, 305.
A Synthetic Study and Characterization of the Pt(II) Complexes with Bipyridines Back-Born System, J. Nanosci & Nanotech, 2014, 14, 6213.
Unexpected Intramolecular Cyclization of a Tetraaza Macrocyclic Nickel(II) Complex Bearing Two N-Alkynyl Pendant Arms, Bull. Kor. Chem. Soc, 2014, 35, 3357.
Preparation and Luminescence Property of the Self-Assembled Nanoscale Netwok Systems Combined Tetracyanoplatinate(II) with Copper(II)-Polyaza Complexes, J. Nanosci & Nanotech. 2015, 15, 1389.
Synthesis of Macrocyclic Nickel(II) Complexes Bearing N, N-Disubstituted Amidine Pendant Arms: Metal-induced C-N Bond Cleavage of the Amidine Group Involving a 14-Membered Tetraaza Macrocycle Bull. Kor. Chem. Soc, 2015, 36, 1504.
Reaction of primary amines with N-ethynyl pendant arms attached to macrocyclic nickel(II) and copper(II) complexes:Formation of the complexes with pendant imine group(s), Inorganica Chimica Acta, 2015, 430, 61.
Reduction of nitrile to primary amine using sodium borohydride: Synthesis and protonation of a cis-octahedral macrocyclic nickel(II) complex bearing two 2-aminoethyl pendant arms, Inorganica Chimica Acta, 2016, 444, 176
LigDockCSA: Protein-Ligand Docking Using Conformational Space Annealing, Journal of Computational Chemistry, 2011, 32, 3226.
GalaxyDock: Protein-Ligand Docking with Flexible Protein Side-chains, Journal of Chemical Information and Modeling, 2012, 52, 3225.
GalaxyDock2: Protein-Ligand Docking using Beta-Complex and Global Optimization, Journal of Computational Chemistry, 2013, 34, 2647.(Selected as an inside cover of JCC)
Prediction of Protein Structure and Interaction by GALAXY protein modeling programs, Bio Design, 2014, 2, 1.
Three-dimensional compound comparison methods and their application in drug discovery, Molecules, 2015, 20, 12841.
PatchSurfers: Two methods for local molecular property-based binding ligand prediction, Methods, 2016, 93, 41.
Evaluation of GalaxyDock Based on the Community Structure-Activity Resource 2013 and 2014 Benchmark Studies, Journal of Chemical Information and Modeling, 2016, 56, 988. (Selected as a collage cover article)
PL-PatchSurfer2: Improved Virtual Screening Method Using Local Surface Matching that is Tolerant to Target and Ligand Structure Variation, Journal of Chemical Information and Modeling, 2016, 56, 1676.
Discovery of Nicotinamide Adenine Dinucleotide Binding Proteinsin the Escherichia coli Proteome Using a Combined Energetic- andStructural-Bioinformatics-Based Approach, J. Proteome Res., 16, 2017, 470.
Prediction of Local Quality of Protein Structure Models Considering Spatial Neighbors in Graphical Models Scientific Reports, 2017, 7, 40629.
Discovery of Protein-Ligand Interactions by a Combined Energetic-Based and Structural-Bioinformatics-Based Approach, Journal of Proteome Research, 2017, 16, 470.
In Silico Structure-Based Approaches to Discover Protein-Protein Interaction-Targeting Drugs
Methods, 2017, 131, 22
Virtual ligand screening using PL-PatchSurfer2, a molecular surface-based protein-ligand docking method (Book Chapter), Methods in Molecular Biology, 2018, 1762. 105.
55 years of the Rossmann fold (Book Chapter), Methods in Molecular Biology, 2019, 1958, 1.
Predicting binding poses and affinity ranking in D3R Grand Challenge using PL-PatchSurfer2.0, Journal of Computer-Aided Molecular Design, 2019, 33, 1083.
Current challenges and opportunities in designing protein-protein interaction targeted drugs, Advances and Applications in Bioinformatics and Chemistry, 2020, 13,11.
AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks, International Journal of Molecular Science, 2020, 21, 8424.
Discovery of a potent repurposed candidate for RET specific non-small cell lung cancer ? A combined in silico and in vitro strategies, Pharmaceutics , 2021, 13, 1775.
S-Pred: Protein Structural Property Prediction using MSA Transformer, Scientific Reports , 2022, 12, 13891.
