List of works - Woong-Hee Shin

55 Years of the Rossmann Fold

scientific article published on 01 January 2019

A prospective compound screening contest identified broader inhibitors for Sirtuin 1

scientific article published on 20 December 2019

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

scientific article published on 10 November 2020

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

scholarly article published 23 March 2020

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

scientific article published on 20 September 2017

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

scientific article published on 25 October 2019

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

scientific article published on 21 December 2015

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

scientific article published on 12 November 2020

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

scientific article published on 04 November 2019

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

scientific article published on 5 December 2016

Evaluation of GalaxyDock Based on the Community Structure-Activity Resource 2013 and 2014 Benchmark Studies

scientific article

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

scientific article published on 16 June 2017

GalaxyDock2: protein-ligand docking using beta-complex and global optimization

scientific article

GalaxyDock: protein-ligand docking with flexible protein side-chains

scientific article published on 12 December 2012

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

scientific article

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

scientific article

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

scientific article

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

scientific article published on 9 August 2017

Lactose derivatives as potential inhibitors of pectin methylesterases

scientific article published on 10 April 2019

LigDockCSA: protein-ligand docking using conformational space annealing.

scientific article published on 12 August 2011

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

scientific article published on 29 May 2015

Modeling the assembly order of multimeric heteroprotein complexes

scientific article published on 12 January 2018

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

scientific article published on 8 August 2016

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

scientific article

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

scientific article published on 07 November 2019

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

scientific article published on 10 September 2019

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

scientific article

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

scientific article

Three-Dimensional Krawtchouk Descriptors for Protein Local Surface Shape Comparison

scientific article published on 08 May 2019

Three-dimensional compound comparison methods and their application in drug discovery

scientific article

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

scientific article published in January 2018

List of works by Woong-Hee Shin

55 Years of the Rossmann Fold

A prospective compound screening contest identified broader inhibitors for Sirtuin 1

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

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

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

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

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

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

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

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

Evaluation of GalaxyDock Based on the Community Structure-Activity Resource 2013 and 2014 Benchmark Studies

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

GalaxyDock2: protein-ligand docking using beta-complex and global optimization

GalaxyDock: protein-ligand docking with flexible protein side-chains

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

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

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

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

Lactose derivatives as potential inhibitors of pectin methylesterases

LigDockCSA: protein-ligand docking using conformational space annealing.

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

Modeling the assembly order of multimeric heteroprotein complexes

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

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

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

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

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

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

Three-Dimensional Krawtchouk Descriptors for Protein Local Surface Shape Comparison

Three-dimensional compound comparison methods and their application in drug discovery

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