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A toolkit for covalent docking with GOLD: from automated ligand preparation with KNIME to bound protein–ligand complexes

Bioinformatics Advances
2022-11-29 | Research tool
Part of ISSN: 2635-0041
Contributors: Laurianne David; Laurianne David; Anissa Mdahoma; Natesh Singh; Sébastien Buchoux; Emilie Pihan; Constantino Diaz; Obdulia Rabal
Source: Self-asserted source
Laurianne David

Molecular representations in AI-driven drug discovery: a review and practical guide

Journal of Cheminformatics
2020-12 | Journal article
Contributors: Laurianne David; Amol Thakkar; Rocío Mercado; Ola Engkvist
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Applications of Deep-Learning in Exploiting Large-Scale and Heterogeneous Compound Data in Industrial Pharmaceutical Research

Frontiers in Pharmacology
2019-11-05 | Journal article
Part of ISSN: 1663-9812
Contributors: Laurianne David; Josep Arús-Pous; Johan Karlsson; Ola Engkvist; Esben Jannik Bjerrum; Thierry Kogej; Jan M. Kriegl; Bernd Beck; Hongming Chen
Source: Self-asserted source
Laurianne David

Identification of Compounds That Interfere with High‐Throughput Screening Assay Technologies

ChemMedChem
2019-10-17 | Journal article
Contributors: Laurianne David; Jarrod Walsh; Noé Sturm; Isabella Feierberg; J. Willem M. Nissink; Hongming Chen; Jürgen Bajorath; Ola Engkvist
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