Author details

Full Name

Woong-Hee Shin

Affiliation

ORCID

Career Start Year

2011

Papers

H Index

Expertise

CM4AI Collaborator

PMID	Paper Title	Journal Title	Published Year
36814641	Quantitative comparison of protein-protein interaction interface using physicochemical feature-based descriptors of surface patches.	Front Mol Biosci	2023
34959149	Surface-based protein domains retrieval methods from a SHREC2021 challenge.	J Mol Graph Model	2022
35974061	S-Pred: protein structural property prediction using MSA transformer.	Scientific Reports	2022
35908673	Synthesis of 4-substituted benzyl-2-triazole-linked-tryptamine-paeonol derivatives and evaluation of their selective inhibitions against butyrylcholinesterase and monoamine oxidase-B.	International Journal of Biological Macromolecules	2022
34834190	Discovery of a Potent Candidate for RET-Specific Non-Small-Cell Lung Cancer-A Combined In Silico and In Vitro Strategy.	Pharmaceutics	2021
33968584	Exploring safe and potent bioactives for the treatment of non-small cell lung cancer.	3 Biotech	2021
33182567	AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks.	International Journal of Molecular Sciences	2020
31697428	Performance and enhancement of the LZerD protein assembly pipeline in CAPRI 38-46.	Proteins	2020
33209039	Current Challenges and Opportunities in Designing Protein-Protein Interaction Targeted Drugs.	Adv Appl Bioinform Chem	2020
30945211	55 Years of the Rossmann Fold.	Methods Mol Biol	2019
32042209	Three-Dimensional Krawtchouk Descriptors for Protein Local Surface Shape Comparison.	Pattern Recognit	2019
31612567	Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment.	Proteins	2019
31863054	A prospective compound screening contest identified broader inhibitors for Sirtuin 1.	Sci Rep	2019
31506789	Predicting binding poses and affinity ranking in D3R Grand Challenge using PL-PatchSurfer2.0.	J Comput Aided Mol Des	2019
30978419	Lactose derivatives as potential inhibitors of pectin methylesterases.	Int J Biol Macromol	2019
29594770	Virtual Ligand Screening Using PL-PatchSurfer2, a Molecular Surface-Based Protein-Ligand Docking Method.	Methods Mol Biol	2018
28845596	Improved performance in CAPRI round 37 using LZerD docking and template-based modeling with combined scoring functions.	Proteins	2018
29329283	Modeling the assembly order of multimeric heteroprotein complexes.	PLoS Comput Biol	2018
28152599	Discovery of Nicotinamide Adenine Dinucleotide Binding Proteins in the Escherichia coli Proteome Using a Combined Energetic- and Structural-Bioinformatics-Based Approach.	J Proteome Res	2017
28802714	In silico structure-based approaches to discover protein-protein interaction-targeting drugs.	Methods	2017
28623486	GalaxyDock BP2 score: a hybrid scoring function for accurate protein-ligand docking.	J Comput Aided Mol Des	2017
28931921	An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes.	Sci Rep	2017
28074879	Prediction of Local Quality of Protein Structure Models Considering Spatial Neighbors in Graphical Models.	Sci Rep	2017
27654025	Human and server docking prediction for CAPRI round 30-35 using LZerD with combined scoring functions.	Proteins	2017
27500657	PL-PatchSurfer2: Improved Local Surface Matching-Based Virtual Screening Method That Is Tolerant to Target and Ligand Structure Variation.	J Chem Inf Model	2016
26427548	PatchSurfers: Two methods for local molecular property-based binding ligand prediction.	Methods	2016
26583962	Evaluation of GalaxyDock Based on the Community Structure-Activity Resource 2013 and 2014 Benchmark Studies.	J Chem Inf Model	2016
26691286	Combined Approach of Patch-Surfer and PL-PatchSurfer for Protein-Ligand Binding Prediction in CSAR 2013 and 2014.	J Chem Inf Model	2016
26193243	Three-dimensional compound comparison methods and their application in drug discovery.	Molecules	2015
25554786	Structure and inhibition of EV-D68, a virus that causes respiratory illness in children.	Science	2015
26037956	Measured and predicted affinities of binding and relative potencies to activate the AhR of PAHs and their alkylated analogues.	Chemosphere	2015
24753427	GalaxySite: ligand-binding-site prediction by using molecular docking.	Nucleic Acids Res	2014
24108416	GalaxyDock2: protein-ligand docking using beta-complex and global optimization.	J Comput Chem	2013
23198780	GalaxyDock: protein-ligand docking with flexible protein side-chains.	J Chem Inf Model	2012
21837636	LigDockCSA: protein-ligand docking using conformational space annealing.	J Comput Chem	2011