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

International journal of molecular sciences, 2020-11, Vol.21 (22), p.8424

2020

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

Methods (San Diego, Calif.), 2017-12, Vol.131, p.22-32

2017

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

Proteins, structure, function, and bioinformatics, 2020-08, Vol.88 (8), p.948-961

2020

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

Proteins, structure, function, and bioinformatics, 2018-03, Vol.86 (S1), p.311-320

2018

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

Journal of computational chemistry, 2013-11, Vol.34 (30), p.2647-2656

2013

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S-Pred: protein structural property prediction using MSA transformer

Scientific reports, 2022-08, Vol.12 (1), p.13891-13891, Article 13891

2022

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

Molecules (Basel, Switzerland), 2015-07, Vol.20 (7), p.12841-12862

2015

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

Proteins, structure, function, and bioinformatics, 2017-03, Vol.85 (3), p.513-527

2017

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

Pharmaceutics, 2021-10, Vol.13 (11), p.1775

2021

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A remarkable genetic shift in a transmitted/founder virus broadens antibody responses against HIV-1

eLife, 2024-04, Vol.13

2024

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Modeling the assembly order of multimeric heteroprotein complexes

PLoS computational biology, 2018-01, Vol.14 (1), p.e1005937

2018

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

3 Biotech, 2021-05, Vol.11 (5), p.241-241, Article 241

2021

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Pannorin isolated from marine Penicillium sp. SG-W3: a selective monoamine oxidase A inhibitor

Applied Biological Chemistry, 2024, 67(0), , pp.1-12

2024

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LigDockCSA: Protein-ligand docking using conformational space annealing

Journal of computational chemistry, 2011-11, Vol.32 (15), p.3226-3232

2011

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Three-dimensional Krawtchouk descriptors for protein local surface shape comparison

Pattern recognition, 2019-09, Vol.93, p.534-545

2019

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

Frontiers in molecular biosciences, 2023-02, Vol.10, p.1110567-1110567

2023

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55 Years of the Rossmann Fold

Methods in molecular biology (Clifton, N.J.), 2019, Vol.1958, p.1

2019

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

Nucleic acids research, 2014-07, Vol.42 (Web Server issue), p.W210-W214

2014

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

Seminars in cancer biology, 2021-01, Vol.68, p.84-91

2021

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

Journal of chemical information and modeling, 2012-12, Vol.52 (12), p.3225-3232

2012

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

Science (American Association for the Advancement of Science), 2015-01, Vol.347 (6217), p.71-74

2015

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

Journal of computer-aided molecular design, 2019-12, Vol.33 (12), p.1083-1094

2019

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

Journal of computer-aided molecular design, 2017-07, Vol.31 (7), p.653-666

2017

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

Methods in molecular biology (Clifton, N.J.), 2018-01, Vol.1762, p.105

2018

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

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

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

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

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

S-Pred: protein structural property prediction using MSA transformer

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

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

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

A remarkable genetic shift in a transmitted/founder virus broadens antibody responses against HIV-1

Modeling the assembly order of multimeric heteroprotein complexes

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

Pannorin isolated from marine Penicillium sp. SG-W3: a selective monoamine oxidase A inhibitor

LigDockCSA: Protein-ligand docking using conformational space annealing

Three-dimensional Krawtchouk descriptors for protein local surface shape comparison

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

55 Years of the Rossmann Fold

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

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

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

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

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

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

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

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

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