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sc-PDB: a 3D-database of ligandable binding sites--10 years on

Nucleic acids research, 2015-01, Vol.43 (Database issue), p.D399-D404

2015

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One class classification for the detection of β2 adrenergic receptor agonists using single-ligand dynamic interaction data

Journal of cheminformatics, 2022-10, Vol.14 (1), p.74-74, Article 74

2022

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sc-PDB: a database for identifying variations and multiplicity of 'druggable' binding sites in proteins

Bioinformatics, 2011-05, Vol.27 (9), p.1324-1326

2011

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Comparative evaluation of eight docking tools for docking and virtual screening accuracy

Proteins, structure, function, and bioinformatics, 2004-11, Vol.57 (2), p.225-242

2004

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CCR5 adopts three homodimeric conformations that control cell surface delivery

Science signaling, 2018-05, Vol.11 (529)

2018

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Allosteric Model of Maraviroc Binding to CC Chemokine Receptor 5 (CCR5)

The Journal of biological chemistry, 2011-09, Vol.286 (38), p.33409-33421

2011

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Mining the Protein Data Bank to inspire fragment library design

Frontiers in chemistry, 2023-02, Vol.11, p.1089714-1089714

2023

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Modeling of CCR5 Recognition by HIV-1 gp120: How the Viral Protein Exploits the Conformational Plasticity of the Coreceptor

Viruses, 2021-07, Vol.13 (7), p.1395

2021

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A chemogenomic analysis of the transmembrane binding cavity of human G-protein-coupled receptors

Proteins, structure, function, and bioinformatics, 2006-02, Vol.62 (2), p.509-538

2006

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A simple and fuzzy method to align and compare druggable ligand-binding sites

Proteins, structure, function, and bioinformatics, 2008-06, Vol.71 (4), p.1755-1778

2008

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Structural Insights into Molecular Recognition and Receptor Activation in Chemokine–Chemokine Receptor Complexes

Journal of medicinal chemistry, 2023-06, Vol.66 (11), p.7070-7085

2023

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Inhibition of the NAD salvage pathway in schistosomes impairs metabolism, reproduction, and parasite survival

PLoS pathogens, 2020-05, Vol.16 (5), p.e1008539

2020

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Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking Poses

Molecules (Basel, Switzerland), 2019-07, Vol.24 (14), p.2610

2019

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Binding mode information improves fragment docking

Journal of cheminformatics, 2019-03, Vol.11 (1), p.24-15, Article 24

2019

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sc-PDB: an Annotated Database of Druggable Binding Sites from the Protein Data Bank

Journal of chemical information and modeling, 2006-03, Vol.46 (2), p.717-727

2006

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Ranking Targets in Structure-Based Virtual Screening of Three-Dimensional Protein Libraries: Methods and Problems

Journal of Chemical Information and Modeling, 2008-05, Vol.48 (5), p.1014-1025

2008

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Identification of Nonpeptide CCR5 Receptor Agonists by Structure-based Virtual Screening

Journal of medicinal chemistry, 2007-03, Vol.50 (6), p.1294-1303

2007

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Fluorescent Derivatives of AC-42 To Probe Bitopic Orthosteric/Allosteric Binding Mechanisms on Muscarinic M1 Receptors

Journal of medicinal chemistry, 2012-03, Vol.55 (5), p.2125-2143

2012

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One class classification for the detection of [beta]2 adrenergic receptor agonists using single-ligand dynamic interaction data

Journal of cheminformatics, 2022-10, Vol.14 (1)

2022

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How to Measure the Similarity Between Protein Ligand-Binding Sites?

Current computer-aided drug design, 2008-09, Vol.4 (3), p.209-220

2008

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Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates

PloS one, 2012-04, Vol.7 (4), p.e34918

2012

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A bright future for fragment-based drug discovery: what does it hold?

Expert opinion on drug discovery, 2019-05, Vol.14 (5), p.413-416

2019

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Predicting the duration of action of β2‐adrenergic receptor agonists: Ligand and structure‐based approaches

Molecular informatics, 2023-12, Vol.42 (12), p.e202300141-n/a

2023

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Benchmarking AlphaFold-Generated Structures of Chemokine–Chemokine Receptor Complexes

Journal of chemical information and modeling, 2024-05, Vol.64 (11), p.4587-4600

2024

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Comparing transmembrane protein structures with ATOLL

Bioinformatics, 2022-03, Vol.38 (6), p.1743-1744

2022

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sc-PDB: a 3D-database of ligandable binding sites--10 years on

One class classification for the detection of β2 adrenergic receptor agonists using single-ligand dynamic interaction data

sc-PDB: a database for identifying variations and multiplicity of 'druggable' binding sites in proteins

Comparative evaluation of eight docking tools for docking and virtual screening accuracy

CCR5 adopts three homodimeric conformations that control cell surface delivery

Allosteric Model of Maraviroc Binding to CC Chemokine Receptor 5 (CCR5)

Mining the Protein Data Bank to inspire fragment library design

Modeling of CCR5 Recognition by HIV-1 gp120: How the Viral Protein Exploits the Conformational Plasticity of the Coreceptor

A chemogenomic analysis of the transmembrane binding cavity of human G-protein-coupled receptors

A simple and fuzzy method to align and compare druggable ligand-binding sites

Structural Insights into Molecular Recognition and Receptor Activation in Chemokine–Chemokine Receptor Complexes

Inhibition of the NAD salvage pathway in schistosomes impairs metabolism, reproduction, and parasite survival

Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking Poses

Binding mode information improves fragment docking

sc-PDB: an Annotated Database of Druggable Binding Sites from the Protein Data Bank

Ranking Targets in Structure-Based Virtual Screening of Three-Dimensional Protein Libraries: Methods and Problems

Identification of Nonpeptide CCR5 Receptor Agonists by Structure-based Virtual Screening

Fluorescent Derivatives of AC-42 To Probe Bitopic Orthosteric/Allosteric Binding Mechanisms on Muscarinic M1 Receptors

One class classification for the detection of [beta]2 adrenergic receptor agonists using single-ligand dynamic interaction data

How to Measure the Similarity Between Protein Ligand-Binding Sites?

Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates

A bright future for fragment-based drug discovery: what does it hold?

Predicting the duration of action of β2‐adrenergic receptor agonists: Ligand and structure‐based approaches

Benchmarking AlphaFold-Generated Structures of Chemokine–Chemokine Receptor Complexes

Comparing transmembrane protein structures with ATOLL

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