E. Kellenberger

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LIT-AlphaFold

A new prediction pipeline called LIT-AlphaFold was developed to study the effects of template and multiple sequence alignment parameters on the results of AlphaFold and …

L. Urvas

• May 29, 2024 • 1 min read

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OCSVM-ADRB2

A new method based on the conformational dynamics of a single protein–ligand reference complex to improve the biased selection of ligands with specific pharmacological properties …

L. Chiesa

• Oct 17, 2022 • 1 min read

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GTMFrag

59270 scaffold from an inventory of commercial fragment libraries. Revillo and al. RSC Med. Chem., 2022,13, 300-310

J. Revillo Imbernon

• Dec 24, 2021 • 1 min read

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Fragdock dataset

2376 ligand/protein structures aligned describing 64 different proteins.

C. Jacquemard

• Jul 18, 2019 • 1 min read

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SiteAlign

A method to measure distances between druggable protein cavities

C. Schalon

• Oct 11, 2017 • 1 min read

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Docking dataset

100 input files (protein, active site, ligand) from Kellenberger and al. Protein, 2004

E. Kellenberger

• Aug 10, 2004 • 1 min read