| Year |
Citation |
Score |
| 2025 |
Sim J, Kim D, Kim B, Choi J, Lee J. Recent advances in AI-driven protein-ligand interaction predictions. Current Opinion in Structural Biology. 92: 103020. PMID 39999605 DOI: 10.1016/j.sbi.2025.103020 |
0.355 |
|
| 2025 |
Eom H, Park S, Cho KS, Lee J, Kim H, Kim S, Yang J, Han YH, Lee J, Seok C, Lee MS, Song WJ, Steinegger M. Discovery of highly active kynureninases for cancer immunotherapy through protein language model. Nucleic Acids Research. 53. PMID 39777462 DOI: 10.1093/nar/gkae1245 |
0.728 |
|
| 2024 |
Hong Y, Ha J, Sim J, Lim CJ, Oh KS, Chandrasekaran R, Kim B, Choi J, Ko J, Shin WH, Lee J. Accurate prediction of protein-ligand interactions by combining physical energy functions and graph-neural networks. Journal of Cheminformatics. 16: 121. PMID 39497201 DOI: 10.1186/s13321-024-00912-2 |
0.788 |
|
| 2024 |
Song J, Ha J, Lee J, Ko J, Shin WH. Improving docking and virtual screening performance using AlphaFold2 multi-state modeling for kinases. Scientific Reports. 14: 25167. PMID 39448664 DOI: 10.1038/s41598-024-75400-6 |
0.766 |
|
| 2024 |
Yang H, Kang M, Jang S, Baek SY, Kim J, Kim GU, Kim D, Ha J, Kim JS, Jung C, Kim NJ, Cho SY, Shin WH, Lee J, Ko J, et al. Discovery of thiophen-2-ylmethylene bis-dimedone derivatives as novel WRN inhibitors for treating cancers with microsatellite instability. Bioorganic & Medicinal Chemistry. 100: 117588. PMID 38295487 DOI: 10.1016/j.bmc.2024.117588 |
0.738 |
|
| 2023 |
Byun J, Vellampatti S, Chatterjee P, Hwang SH, Kim BC, Lee J. Characterization of the role of Kunitz-type protease inhibitor domain in dimerization of amyloid precursor protein. Journal of Computational Chemistry. PMID 36988355 DOI: 10.1002/jcc.27100 |
0.524 |
|
| 2022 |
Hong Y, Song J, Ko J, Lee J, Shin WH. S-Pred: protein structural property prediction using MSA transformer. Scientific Reports. 12: 13891. PMID 35974061 DOI: 10.1038/s41598-022-18205-9 |
0.77 |
|
| 2022 |
Hong Y, Lee J, Ko J. A-Prot: protein structure modeling using MSA transformer. Bmc Bioinformatics. 23: 93. PMID 35296230 DOI: 10.1186/s12859-022-04628-8 |
0.707 |
|
| 2022 |
Ucak UV, Ashyrmamatov I, Ko J, Lee J. Retrosynthetic reaction pathway prediction through neural machine translation of atomic environments. Nature Communications. 13: 1186. PMID 35246540 DOI: 10.1038/s41467-022-28857-w |
0.711 |
|
| 2021 |
Choi J, Lee J. V-Dock: Fast Generation of Novel Drug-like Molecules Using Machine-Learning-Based Docking Score and Molecular Optimization. International Journal of Molecular Sciences. 22. PMID 34769065 DOI: 10.3390/ijms222111635 |
0.398 |
|
| 2021 |
Kang B, Seok C, Lee J. MOLGENGO: Finding Novel Molecules with Desired Electronic Properties by Capitalizing on Their Global Optimization. Acs Omega. 6: 27454-27465. PMID 34693166 DOI: 10.1021/acsomega.1c04347 |
0.703 |
|
| 2021 |
Ucak UV, Kang T, Ko J, Lee J. Substructure-based neural machine translation for retrosynthetic prediction. Journal of Cheminformatics. 13: 4. PMID 33431017 DOI: 10.1186/s13321-020-00482-z |
0.71 |
|
| 2020 |
Kwon Y, Shin WH, Ko J, Lee J. AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks. International Journal of Molecular Sciences. 21. PMID 33182567 DOI: 10.3390/ijms21228424 |
0.777 |
|
| 2020 |
Kang B, Seok C, Lee J. Prediction of Molecular Electronic Transitions Using Random Forests. Journal of Chemical Information and Modeling. PMID 33090804 DOI: 10.1021/acs.jcim.0c00698 |
0.714 |
|
| 2017 |
Heo S, Lee J, Joo K, Shin HC, Lee J. Protein Loop Structure Prediction using Conformational Space Annealing. Journal of Chemical Information and Modeling. PMID 28398048 DOI: 10.1021/acs.jcim.6b00742 |
0.32 |
|
| 2016 |
Tofoleanu F, Lee J, Pickard Iv FC, König G, Huang J, Baek M, Seok C, Brooks BR. Absolute binding free energies for octa-acids and guests in SAMPL5 : Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge. Journal of Computer-Aided Molecular Design. PMID 27696242 DOI: 10.1007/S10822-016-9965-5 |
0.762 |
|
| 2016 |
Lee J, Tofoleanu F, Pickard FC, König G, Huang J, Damjanović A, Baek M, Seok C, Brooks BR. Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge. Journal of Computer-Aided Molecular Design. PMID 27677749 DOI: 10.1007/S10822-016-9968-2 |
0.751 |
|
| 2014 |
Manavalan B, Lee J, Lee J. Random forest-based protein model quality assessment (RFMQA) using structural features and potential energy terms. Plos One. 9: e106542. PMID 25222008 DOI: 10.1371/journal.pone.0106542 |
0.316 |
|
| 2013 |
Lee D, Lee J, Seok C. What stabilizes close arginine pairing in proteins? Physical Chemistry Chemical Physics : Pccp. 15: 5844-53. PMID 23486862 DOI: 10.1039/c3cp00160a |
0.726 |
|
| 2011 |
Shin WH, Heo L, Lee J, Ko J, Seok C, Lee J. LigDockCSA: protein-ligand docking using conformational space annealing. Journal of Computational Chemistry. 32: 3226-32. PMID 21837636 DOI: 10.1002/jcc.21905 |
0.737 |
|
| 2011 |
Lee J, Lee J, Sasaki TN, Sasai M, Seok C, Lee J. De novo protein structure prediction by dynamic fragment assembly and conformational space annealing. Proteins. 79: 2403-17. PMID 21604307 DOI: 10.1002/prot.23059 |
0.651 |
|
| 2010 |
Lee J, Kim YG, Kim KK, Seok C. Transition between B-DNA and Z-DNA: free energy landscape for the B-Z junction propagation. The Journal of Physical Chemistry. B. 114: 9872-81. PMID 20666528 DOI: 10.1021/jp103419t |
0.544 |
|
| 2010 |
Lee J, Kim JS, Seok C. Cooperativity and specificity of Cys2His2 zinc finger protein-DNA interactions: a molecular dynamics simulation study. The Journal of Physical Chemistry. B. 114: 7662-71. PMID 20469897 DOI: 10.1021/jp1017289 |
0.594 |
|
| 2008 |
Lee J, Seok C. A statistical rescoring scheme for protein-ligand docking: Consideration of entropic effect. Proteins. 70: 1074-83. PMID 18076034 DOI: 10.1002/prot.21844 |
0.634 |
|
| Show low-probability matches. |