Woong-Hee Shin

发表

Current Challenges and Opportunities in Designing Protein–Protein Interaction Targeted Drugs

D. Kihara, T. Hirokawa, Woong-Hee Shin, 2020, Advances and applications in bioinformatics and chemistry : AABC.

In silico structure-based approaches to discover protein-protein interaction-targeting drugs.

Daisuke Kihara, Woong-Hee Shin, Charles W Christoffer, 2017, Methods.

Discovery of a Potent Candidate for RET-Specific Non-Small-Cell Lung Cancer—A Combined In Silico and In Vitro Strategy

Woong-Hee Shin, Shanthi Veerappapillai, P. Ramesh, 2021, Pharmaceutics.

Three-Dimensional Compound Comparison Methods and Their Application in Drug Discovery

Daisuke Kihara, Mark G. Bures, Woong-Hee Shin, 2015, Molecules.

PatchSurfers: Two methods for local molecular property-based binding ligand prediction.

Daisuke Kihara, Woong-Hee Shin, D. Kihara, 2016, Methods.

PP-2, a src-kinase inhibitor, is a potential corrector for F508del-CFTR in cystic fibrosis

D. Kihara, A. Jegga, Woong-Hee Shin, 2018, bioRxiv.

A prospective compound screening contest identified broader inhibitors for Sirtuin 1

Shogo D. Suzuki, Hironori K. Nakamura, Kazuki Z. Yamamoto, 2019, Scientific Reports.

Current progress and future perspectives of polypharmacology : From the view of non-small cell lung cancer.

D. Kihara, Woong-Hee Shin, K. Ramanathan, 2019, Seminars in cancer biology.

Virtual Ligand Screening Using PL-PatchSurfer2, a Molecular Surface-Based Protein-Ligand Docking Method.

Daisuke Kihara, Woong-Hee Shin, D. Kihara, 2018, Methods in molecular biology.

Implementation of pharmacophore-based 3D QSAR model and scaffold analysis in order to excavate pristine ALK inhibitors

D. Kihara, Woong-Hee Shin, S. V, 2019, Medicinal Chemistry Research.

55 Years of the Rossmann Fold.

D. Kihara, Woong-Hee Shin, 2019, Methods in molecular biology.

Measured and predicted affinities of binding and relative potencies to activate the AhR of PAHs and their alkylated analogues.

Chaok Seok, J. Giesy, Woong-Hee Shin, 2015, Chemosphere.

AABC_A_235542 11..25

D. Kihara, T. Hirokawa, Woong-Hee Shin, 2020 .

Synthesis of 4-substituted benzyl-2-triazole-linked-tryptamine-paeonol derivatives and evaluation of their selective inhibitions against butyrylcholinesterase and monoamine oxidase-B.

Woong-Hee Shin, S. Yee, Ji Hyun Hwang, 2022, International Journal of Biological Macromolecules.

Virus structure. Structure and inhibition of EV-D68, a virus that causes respiratory illness in children.

D. Kihara, M. Rossmann, R. Kuhn, 2015 .

Lactose derivatives as potential inhibitors of pectin methylesterases.

D. Kihara, Woong-Hee Shin, J. Pelloux, 2019, International journal of biological macromolecules.

S-Pred: protein structural property prediction using MSA transformer

Juyong Lee, Woong-Hee Shin, Junsu Ko, 2022, Scientific Reports.

GalaxyDock BP2 score: a hybrid scoring function for accurate protein–ligand docking

Minkyung Baek, Chaok Seok, Hwan Won Chung, 2017, Journal of Computer-Aided Molecular Design.

An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes

Daisuke Kihara, Takashi Ishida, Masakazu Sekijima, 2017, Scientific Reports.

Structure and inhibition of EV-D68, a virus that causes respiratory illness in children

D. Kihara, M. Rossmann, R. Kuhn, 2015, Science.

SHREC 2021: Retrieval and classification of protein surfaces equipped with physical and chemical properties

Tuan-Duy H. Nguyen, Huu-Nghia H. Nguyen, Charles W Christoffer, 2021, Comput. Graph..

LigDockCSA: Protein–ligand docking using conformational space annealing

Jooyoung Lee, Chaok Seok, Juyong Lee, 2011, J. Comput. Chem..

Chapter 1 55 Years of the Rossmann Fold

D. Kihara, Woong-Hee Shin, 2019 .

Blind prediction of homo‐ and hetero‐protein complexes: The CASP13‐CAPRI experiment

Elodie Laine, Alessandra Carbone, Adam Liwo, 2019, Proteins.

Discovery of Nicotinamide Adenine Dinucleotide Binding Proteins in the Escherichia coli Proteome Using a Combined Energetic- and Structural-Bioinformatics-Based Approach.

Daisuke Kihara, Woong-Hee Shin, Lingfei Zeng, 2017, Journal of proteome research.

Modeling the assembly order of multimeric heteroprotein complexes

Genki Terashi, Daisuke Kihara, Juan Esquivel-Rodríguez, 2018, PLoS Comput. Biol..

Prediction of Local Quality of Protein Structure Models Considering Spatial Neighbors in Graphical Models

Daisuke Kihara, Jian Zhang, Woong-Hee Shin, 2017, Scientific Reports.

Exploring safe and potent bioactives for the treatment of non-small cell lung cancer

Woong-Hee Shin, Ramanathan Karuppasamy, Muthu Kumar Thirunavukkarasu, 2021, 3 Biotech.

AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks

Juyong Lee, Woong-Hee Shin, Junsu Ko, 2020, International journal of molecular sciences.

GalaxySite: ligand-binding-site prediction by using molecular docking

Chaok Seok, Woong-Hee Shin, Lim Heo, 2014, Nucleic Acids Res..

GalaxyDock: Protein-Ligand Docking with Flexible Protein Side-chains

Chaok Seok, Woong-Hee Shin, Chaok Seok, 2012, J. Chem. Inf. Model..

Three-dimensional Krawtchouk descriptors for protein local surface shape comparison

Daisuke Kihara, Atilla Sit, Woong-Hee Shin, 2018, Pattern Recognit..

Quantitative comparison of protein-protein interaction interface using physicochemical feature-based descriptors of surface patches

D. Kihara, T. Hirokawa, Woong-Hee Shin, 2023, Frontiers in Molecular Biosciences.

PL-PatchSurfer2: Improved Local Surface Matching-Based Virtual Screening Method That Is Tolerant to Target and Ligand Structure Variation

Daisuke Kihara, Ji-Bo Wang, Charles Christoffer, 2016, J. Chem. Inf. Model..

Predicting binding poses and affinity ranking in D3R Grand Challenge using PL-PatchSurfer2.0

Daisuke Kihara, Woong-Hee Shin, D. Kihara, 2019, Journal of Computer-Aided Molecular Design.

Combined Approach of Patch-Surfer and PL-PatchSurfer for Protein-Ligand Binding Prediction in CSAR 2013 and 2014

Daisuke Kihara, Hyungrae Kim, Xiaolei Zhu, 2016, J. Chem. Inf. Model..

An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes

Shogo D. Suzuki, Kazuki Z. Yamamoto, D. Kihara, 2017, Scientific Reports.

Performance and enhancement of the LZerD protein assembly pipeline in CAPRI 38‐46

Genki Terashi, Daisuke Kihara, Charles Christoffer, 2019, Proteins.

A genetic shift in an escaped transmitted / founder virus guides 1 combinatorial vaccine design against HIV-1 2 3

Jerome H. Kim, D. Kihara, M. Robb, 2021 .

GalaxyDock2: Protein–ligand docking using beta‐complex and global optimization

Deok-Soo Kim, Chaok Seok, Jae-Kwan Kim, 2013, J. Comput. Chem..

Human and server docking prediction for CAPRI round 30‐35 using LZerD with combined scoring functions

Genki Terashi, Daisuke Kihara, Xusi Han, 2017, Proteins.

Surface-based protein domains retrieval methods from a SHREC2021 challenge.

Tuan-Duy H. Nguyen, Huu-Nghia H. Nguyen, Charles W Christoffer, 2021, Journal of molecular graphics & modelling.

SHREC 2021: Surface-based Protein Domains Retrieval

Genki Terashi, Daisuke Kihara, Yonghuai Liu, 2021, 3DOR.

Improved performance in CAPRI round 37 using LZerD docking and template‐based modeling with combined scoring functions

Daisuke Kihara, Hyungrae Kim, Woong-Hee Shin, 2018, Proteins.

PL-PatchSurfer3: Improved Structure-Based Virtual Screening for Structure Variation Using 3D Zernike Descriptors

Woong-Hee Shin, Daisuke Kihara, 2024, bioRxiv.

SHREC 2021: Retrieval and classification of protein surfaces equipped with physical and chemical properties

Daisuke Kihara, Konstantinos Moustakas, Evangelia I. Zacharaki, 2021, Comput. Graph..

Conformational Sampling of Flexible Ligand-binding Protein Loops

Gyu Rie Lee, Chaok Seok, Seokmin Shin, 2012 .

Discovery of thiophen-2-ylmethylene bis-dimedone derivatives as novel WRN inhibitors for treating cancers with microsatellite instability

Woong-Hee Shin, G. Keum, Taek Kang, 2024, Bioorganic & Medicinal Chemistry.