Mario Öeren
6PUBLICATIONS
17CO-AUTHORS
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Publications (6)
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|Dec 18, 2023
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules.Elena Gelžinytė, Mario Öeren, Matthew D Segall
|May 25, 2023
Predicting Regioselectivity of Cytosolic Sulfotransferase Metabolism for Drugs.Mario Öeren, Sylvia C Kaempf, David J Ponting
|Oct 14, 2022
Predicting Regioselectivity of AO, CYP, FMO, and UGT Metabolism Using Quantum Mechanical Simulations and Machine Learning.Mario Öeren, Peter J Walton, James Suri
|Nov 06, 2020
Dynamic chiral cyclohexanohemicucurbit[12]uril.Kamini A Mishra, Jasper Adamson, Mario Öeren
|Jun 14, 2020
Predicting reactivity to drug metabolism: beyond P450s-modelling FMOs and UGTs.Mario Öeren, Peter J Walton, Peter A Hunt
|Jul 12, 2017
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution.Sandra Kaabel, Jasper Adamson, Filip Topić
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Frequent Collaborators
3 joint publications
Matthew D Segall
2 joint publications
Sandra Kaabel
2 joint publications
Jasper Adamson
2 joint publications
Riina Aav
2 joint publications
Peter A Hunt
2 joint publications
David J Ponting
1 joint publications
Filip Topić
1 joint publications
Elina Kalenius
1 joint publications
Mart Reimund
1 joint publications
Aivar Lõokene
