| Prediction of protein structure and interaction by GALAXY protein modeling programs WH Shin, GR Lee, L Heo, H Lee, C Seok Bio Design 2 (1), 1-11, 2014 | 213 | 2014 |
| Structure and inhibition of EV-D68, a virus that causes respiratory illness in children Y Liu, J Sheng, A Fokine, G Meng, WH Shin, F Long, RJ Kuhn, D Kihara, ... Science 347 (6217), 71-74, 2015 | 187 | 2015 |
| Blind prediction of homo‐and hetero‐protein complexes: The CASP13‐CAPRI experiment MF Lensink, G Brysbaert, N Nadzirin, S Velankar, RAG Chaleil, T Gerguri, ... Proteins: Structure, Function, and Bioinformatics 87 (12), 1200-1221, 2019 | 128 | 2019 |
| GalaxySite: ligand-binding-site prediction by using molecular docking L Heo, WH Shin, MS Lee, C Seok Nucleic acids research 42 (W1), W210-W214, 2014 | 112 | 2014 |
| AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks Y Kwon, WH Shin, J Ko, J Lee International Journal of Molecular Science 21 (22), 8424, 2020 | 102 | 2020 |
| GalaxyDock2: Protein–ligand docking using beta‐complex and global optimization WH Shin, JK Kim, DS Kim, C Seok Journal of computational chemistry 34 (30), 2647-2656, 2013 | 102 | 2013 |
| In silico structure-based approaches to discover protein-protein interaction-targeting drugs WH Shin, CW Christoffer, D Kihara Methods 131, 22-32, 2017 | 90 | 2017 |
| GalaxyDock: protein–ligand docking with flexible protein side-chains WH Shin, C Seok Journal of chemical information and modeling 52 (12), 3225-3232, 2012 | 89 | 2012 |
| Current challenges and opportunities in designing protein–protein interaction targeted drugs WH Shin, K Kumazawa, K Imai, T Hirokawa, D Kihara Advances and Applications in Bioinformatics and Chemistry, 11-25, 2020 | 83 | 2020 |
| Three-Dimensional Compound Comparison Methods and Their Application in Drug Discovery WH Shin, X Zhu, MG Bures, D Kihara Molecules 20 (7), 12841-12862, 2015 | 81 | 2015 |
| LigDockCSA: protein–ligand docking using conformational space annealing WH Shin, L Heo, J Lee, J Ko, C Seok, J Lee Journal of computational chemistry 32 (15), 3226-3232, 2011 | 60 | 2011 |
| GalaxyDock BP2 score: a hybrid scoring function for accurate protein–ligand docking M Baek, WH Shin, HW Chung, C Seok Journal of Computer-Aided Molecular Design 31, 653-666, 2017 | 57 | 2017 |
| Measured and predicted affinities of binding and relative potencies to activate the AhR of PAHs and their alkylated analogues S Lee, WH Shin, S Hong, H Kang, D Jung, UH Yim, WJ Shim, JS Khim, ... Chemosphere 139, 23-29, 2015 | 46 | 2015 |
| Modeling the assembly order of multimeric heteroprotein complexes LX Peterson, Y Togawa, J Esquivel-Rodriguez, G Terashi, C Christoffer, ... PLoS computational biology 14 (1), e1005937, 2018 | 42 | 2018 |
| An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes S Chiba, T Ishida, K Ikeda, M Mochizuki, R Teramoto, YH Taguchi, ... Scientific Reports 7 (1), 12038, 2017 | 34 | 2017 |
| Current progress and future perspectives of polypharmacology: From the view of non-small cell lung cancer R Karuppasamy, S Veerappapillai, S Maiti, WH Shin, D Kihara Seminars in cancer biology 68, 84-91, 2021 | 33 | 2021 |
| PL-PatchSurfer2: Improved Local Surface Matching-Based Virtual Screening Method That Is Tolerant to Target and Ligand Structure Variation WH Shin, CW Christoffer, J Wang, D Kihara Journal of Chemical Information and Modeling 56 (9), 1676-1691, 2016 | 31 | 2016 |
| 55 Years of the Rossmann fold WH Shin, D Kihara Protein Supersecondary Structures: Methods and Protocols, 1-13, 2019 | 30 | 2019 |
| Synthesis of 4-substituted benzyl-2-triazole-linked-tryptamine-paeonol derivatives and evaluation of their selective inhibitions against butyrylcholinesterase and monoamine … JM Oh, Y Kang, JH Hwang, JH Park, WH Shin, SK Mun, JU Lee, ST Yee, ... International Journal of Biological Macromolecules 217, 910-921, 2022 | 24 | 2022 |
| Improved performance in CAPRI round 37 using LZerD docking and template‐based modeling with combined scoring functions LX Peterson, WH Shin, H Kim, D Kihara Proteins: Structure, Function, and Bioinformatics 86, 311-320, 2018 | 24 | 2018 |