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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Fitted

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4 results in Keywords: Fitted

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

81

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Biological and Medicinal Chemistry

Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds – Challenges and Opportunities.

Nicolas Moitessier, Anne Labarre, Julia Stille, Mihai Burai Patrascu, Andrew Martins, Joshua Pottel

Version 2 posted 22 June 2021

585

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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

298

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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

877

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