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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Ophélie Rostaing

5 results in Authors: Ophélie Rostaing

Biological and Medicinal Chemistry

The Fourth CACHE Challenge – A Comprehensive Drug Discovery Workflow to Discover Potential Inhibitors of the Tyrosine Kinase Binding Domain of Cbl-b

Mihai Burai-Patrascu, Ophélie Rostaing, Matej Janežič, Antoine Moitessier, Suneel Kumar B. V. S., Joshua Pottel, Nicolas Moitessier

Version 1 posted 25 September 2024

66

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Biological and Medicinal Chemistry

The Third CACHE Challenge – Finding Ligands Targeting the Macrodomain of SARS-CoV-2 NSP3 Using AI-inspired and Knowledge-Based Approaches.

Suneel Kumar B.V.S, Ophélie Rostaing, Mihai Burai-Patrascu, Matej Janezic, Antoine Moitessier, Joshua Pottel, Nicolas Moitessier

Version 1 posted 12 February 2024

228

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Biological and Medicinal Chemistry

The Second CACHE Challenge - Targeting the RNA-Binding Pocket of the SARS-CoV2 Nonstructural Protein 13 via a consensus-scoring method and FITTED templated docking.

Anita K. Nivedha, Mihai Burai-Patrascu, Ophélie Rostaing, Prakash Chukka, Bimaldeep Singh, Matej Janezic, Antoine Moitessier, Nicolas Moitessier, Joshua Pottel

Version 1 posted 01 March 2023

296

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Theoretical and Computational Chemistry

Machine Learning-Augmented Docking. 1. CYP inhibition prediction

Benjamin Weiser, Jérôme Genzling, Mihai Burai Patrascu, Ophélie Rostaing, Nicolas Moitessier

Version 2 posted 19 September 2023

341

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Biological and Medicinal Chemistry

The First CACHE Challenge – Testing Diverse Virtual Screening Scoring Methods to Identify Potential LRRK2 Binders

Mihai Burai-Patrascu, Anita K. Nivedha, Ophélie Rostaing, Prakash Chukka, Antoine Moitessier, Nicolas Moitessier, Josh Pottel

Version 3 posted 07 March 2024

873

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