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Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

Journal of medicinal chemistry, 2012-07, Vol.55 (14), p.6582-6594

2012

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Docking Screens for Novel Ligands Conferring New Biology

Journal of medicinal chemistry, 2016-05, Vol.59 (9), p.4103-4120

2016

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ZINC20A Free Ultralarge-Scale Chemical Database for Ligand Discovery

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.6065-6073

2020

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ZINC: A Free Tool to Discover Chemistry for Biology

Journal of chemical information and modeling, 2012-07, Vol.52 (7), p.1757-1768

2012

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Ultra-large library docking for discovering new chemotypes

Nature (London), 2019-02, Vol.566 (7743), p.224-229

2019

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Modeling the expansion of virtual screening libraries

Nature chemical biology, 2023-06, Vol.19 (6), p.712

2023

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Virtual discovery of melatonin receptor ligands to modulate circadian rhythms

Nature (London), 2020-03, Vol.579 (7800), p.609-614

2020

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Ligand pose and orientational sampling in molecular docking

PloS one, 2013-10, Vol.8 (10), p.e75992-e75992

2013

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Discovery of new GPCR ligands to illuminate new biology

Nature chemical biology, 2017-11, Vol.13 (11), p.1143

2017

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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

Journal of chemical information and modeling, 2005-01, Vol.45 (1), p.177-182

2005

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Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking

Journal of the American Chemical Society, 2020-03, Vol.142 (11), p.4960-4964

2020

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Structures of the σ2 receptor enable docking for bioactive ligand discovery

Nature (London), 2021-12, Vol.600 (7890), p.759-764

2021

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ZINC 15 – Ligand Discovery for Everyone

Journal of chemical information and modeling, 2015-11, Vol.55 (11), p.2324-2337

2015

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Relating protein pharmacology by ligand chemistry

Nature biotechnology, 2007-02, Vol.25 (2), p.197-206

2007

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Predicting new molecular targets for known drugs

Nature (London), 2009-11, Vol.462 (7270), p.175-181

2009

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Ligand discovery from a dopamine D3 receptor homology model and crystal structure

Nature chemical biology, 2011-09, Vol.7 (11), p.769

2011

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Structure-based ligand discovery for the Large-neutral Amino Acid Transporter 1, LAT-1

Proceedings of the National Academy of Sciences - PNAS, 2013-04, Vol.110 (14), p.5480-5485

2013

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Quantifying biogenic bias in screening libraries

Nature chemical biology, 2009-07, Vol.5 (7), p.479-483

2009

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Identifying mechanism-of-action targets for drugs and probes

Proceedings of the National Academy of Sciences - PNAS, 2012-07, Vol.109 (28), p.11178-11183

2012

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Docking and chemoinformatic screens for new ligands and targets

Current opinion in biotechnology, 2009-08, Vol.20 (4), p.429-436

2009

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Structure-based Discovery of Antagonists of Nuclear Receptor LRH-1

The Journal of biological chemistry, 2013-07, Vol.288 (27), p.19830-19844

2013

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Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET

Proceedings of the National Academy of Sciences - PNAS, 2011-09, Vol.108 (38), p.15810-15815

2011

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Molecular Docking Screens Using Comparative Models of Proteins

Journal of chemical information and modeling, 2009-11, Vol.49 (11), p.2512-2527

2009

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Docking for EP4R antagonists active against inflammatory pain

Nature communications, 2023-12, Vol.14 (1), p.8067-8067, Article 8067

2023

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Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

Docking Screens for Novel Ligands Conferring New Biology

ZINC20A Free Ultralarge-Scale Chemical Database for Ligand Discovery

ZINC: A Free Tool to Discover Chemistry for Biology

Ultra-large library docking for discovering new chemotypes

Modeling the expansion of virtual screening libraries

Virtual discovery of melatonin receptor ligands to modulate circadian rhythms

Ligand pose and orientational sampling in molecular docking

Discovery of new GPCR ligands to illuminate new biology

ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking

Structures of the σ2 receptor enable docking for bioactive ligand discovery

ZINC 15 – Ligand Discovery for Everyone

Relating protein pharmacology by ligand chemistry

Predicting new molecular targets for known drugs

Ligand discovery from a dopamine D3 receptor homology model and crystal structure

Structure-based ligand discovery for the Large-neutral Amino Acid Transporter 1, LAT-1

Quantifying biogenic bias in screening libraries

Identifying mechanism-of-action targets for drugs and probes

Docking and chemoinformatic screens for new ligands and targets

Structure-based Discovery of Antagonists of Nuclear Receptor LRH-1

Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET

Large library docking for novel SARS‐CoV‐2 main protease non‐covalent and covalent inhibitors

Molecular Docking Screens Using Comparative Models of Proteins

Docking for EP4R antagonists active against inflammatory pain

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