| Year |
Citation |
Score |
| 2024 |
Shin WH, Kihara D. PL-PatchSurfer3: Improved Structure-Based Virtual Screening for Structure Variation Using 3D Zernike Descriptors. Biorxiv : the Preprint Server For Biology. PMID 38464318 DOI: 10.1101/2024.02.22.581511 |
0.355 |
|
| 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 |
0.687 |
|
| 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 |
0.743 |
|
| 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 |
0.78 |
|
| 2019 |
Christoffer C, Terashi G, Shin WH, Aderinwale T, Maddhuri Venkata Subraman SR, Peterson L, Verburgt J, Kihara D. Performance and enhancement of the LZerD protein assembly pipeline in CAPRI 38-46. Proteins. PMID 31697428 DOI: 10.1002/Prot.25850 |
0.434 |
|
| 2019 |
Lensink MF, Brysbaert G, Nadzirin N, Velankar S, Chaleil RAG, Gerguri T, Bates PA, Laine E, Carbone A, Grudinin S, Kong R, Liu RR, Xu XM, Shi H, Chang S, ... ... Shin WH, et al. Blind prediction of homo- and hetero- protein complexes: The CASP13-CAPRI experiment. Proteins. PMID 31612567 DOI: 10.1002/Prot.25838 |
0.661 |
|
| 2019 |
Shin WH, Kihara D. Predicting binding poses and affinity ranking in D3R Grand Challenge using PL-PatchSurfer2.0. Journal of Computer-Aided Molecular Design. PMID 31506789 DOI: 10.1007/S10822-019-00222-Y |
0.452 |
|
| 2018 |
Shin WH, Kihara D. Virtual Ligand Screening Using PL-PatchSurfer2, a Molecular Surface-Based Protein-Ligand Docking Method. Methods in Molecular Biology (Clifton, N.J.). 1762: 105-121. PMID 29594770 DOI: 10.1007/978-1-4939-7756-7_7 |
0.358 |
|
| 2017 |
Peterson LX, Shin WH, Kim H, Kihara D. Improved performance in CAPRI round 37 using LZerD docking and template-based modeling with combined scoring functions. Proteins. PMID 28845596 DOI: 10.1002/Prot.25376 |
0.442 |
|
| 2017 |
Shin WH, Christoffer CW, Kihara D. In Silico Structure-Based Approaches to Discover Protein-Protein Interaction-Targeting Drugs. Methods (San Diego, Calif.). PMID 28802714 DOI: 10.1016/J.Ymeth.2017.08.006 |
0.323 |
|
| 2017 |
Baek M, Shin WH, Chung HW, Seok C. GalaxyDock BP2 score: a hybrid scoring function for accurate protein-ligand docking. Journal of Computer-Aided Molecular Design. PMID 28623486 DOI: 10.1007/s10822-017-0030-9 |
0.771 |
|
| 2017 |
Zeng L, Shin WH, Zhu X, Park SH, Park C, Tao WA, Kihara D. 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. 16: 470-480. PMID 28152599 DOI: 10.1021/Acs.Jproteome.6B00624 |
0.38 |
|
| 2017 |
Shin WH, Kang X, Zhang J, Kihara D. Prediction of Local Quality of Protein Structure Models Considering Spatial Neighbors in Graphical Models. Scientific Reports. 7: 40629. PMID 28074879 DOI: 10.1038/Srep40629 |
0.319 |
|
| 2016 |
Peterson LX, Kim H, Esquivel-Rodriguez J, Roy A, Han X, Shin WH, Zhang J, Terashi G, Lee M, Kihara D. Human and Server Docking Prediction for CAPRI Round 30-35 Using LZerD with Combined Scoring Functions. Proteins. PMID 27654025 DOI: 10.1002/Prot.25165 |
0.456 |
|
| 2016 |
Shin WH, Christoffer CW, Wang J, Kihara D. PL-PatchSurfer2: Improved Local Surface Matching-Based Virtual Screening Method that is Tolerant to Target and Ligand Structure Variation. Journal of Chemical Information and Modeling. PMID 27500657 DOI: 10.1021/Acs.Jcim.6B00163 |
0.379 |
|
| 2015 |
Zhu X, Shin WH, Kim H, Kihara D. Combined Approach of Patch-Surfer and PL-PatchSurfer for Protein-Ligand Binding Prediction in CSAR 2013 and 2014. Journal of Chemical Information and Modeling. PMID 26691286 DOI: 10.1021/Acs.Jcim.5B00625 |
0.462 |
|
| 2015 |
Shin WH, Lee GR, Seok C. Evaluation of GalaxyDock based on the Community Structure-Activity Resource 2013 and 2014 Benchmark Studies. Journal of Chemical Information and Modeling. PMID 26583962 DOI: 10.1021/acs.jcim.5b00309 |
0.772 |
|
| 2015 |
Shin WH, Bures MG, Kihara D. PatchSurfers: Two methods for local molecular property-based binding ligand prediction. Methods (San Diego, Calif.). PMID 26427548 DOI: 10.1016/J.Ymeth.2015.09.026 |
0.503 |
|
| 2015 |
Lee S, Shin WH, Hong S, Kang H, Jung D, Yim UH, Shim WJ, Khim JS, Seok C, Giesy JP, Choi K. Measured and predicted affinities of binding and relative potencies to activate the AhR of PAHs and their alkylated analogues. Chemosphere. 139: 23-29. PMID 26037956 DOI: 10.1016/J.Chemosphere.2015.05.033 |
0.625 |
|
| 2014 |
Heo L, Shin WH, Lee MS, Seok C. GalaxySite: ligand-binding-site prediction by using molecular docking. Nucleic Acids Research. 42: W210-4. PMID 24753427 DOI: 10.1093/nar/gku321 |
0.774 |
|
| 2013 |
Shin WH, Kim JK, Kim DS, Seok C. GalaxyDock2: protein-ligand docking using beta-complex and global optimization. Journal of Computational Chemistry. 34: 2647-56. PMID 24108416 DOI: 10.1002/jcc.23438 |
0.716 |
|
| 2012 |
Shin WH, Seok C. GalaxyDock: protein-ligand docking with flexible protein side-chains. Journal of Chemical Information and Modeling. 52: 3225-32. PMID 23198780 DOI: 10.1021/ci300342z |
0.688 |
|
| 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 |
0.696 |
|
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