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Mario Öeren

4 results in Authors: Mario Öeren

Theoretical and Computational Chemistry

Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules

Elena Gelžinytė, Mario Öeren, Matthew D. Segall, Gábor Csányi

Version 2 posted 13 December 2023

506

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Organic Chemistry

Mechanochemically-Driven Self-Assembly of a Chiral Mono-Biotinylated Hemicucurbit[8]uril

Elina Suut-Tuule, Tatsiana Jarg, Priit Tikker, Ketren-Marlein Lootus, Jevgenija Martõnova, Rauno Reitalu, Lukaš Ustrnul, James Ward, Vitalijs Rjabovs, Kirill Shubin, Jagadeesh V. Nallaparaju, Marko Vendelin, Sergei Preis, Mario Öeren, Kari Rissanen, Dzmitry Kananovich, Riina Aav

Version 1 posted 02 May 2024

228

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Physical Chemistry

Dynamic Chiral Cyclohexanohemicucurbit[12]uril

Kamini A. Mishra, Jasper Adamson, Mario Öeren, Sandra Kaabel, Maria Fomitšenko, Riina Aav

Version 1 posted 06 July 2020

283

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Theoretical and Computational Chemistry

An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials

Edwin Tse, Laksh Aithani, Mark Anderson, Jonathan Cardoso-Silva, Giovanni Cincilla, Gareth J. Conduit, Mykola Galushka, Davy Guan, Irene Hallyburton, Benedict W. J. Irwin, Kiaran Kirk, Adele M. Lehane, Julia Lindblom, Raymond Lui, Slade Matthews, James McCulloch, Alice Motion, Ho Leung Ng, Mario Öeren, Murray N. Robertson, Vito Spadavecchio, Vasileios Tatsis, Willem P. van Hoorn, Alexander Wade, Thomas M. Whitehead, Paul Willis, Matthew Todd

Version 1 posted 06 November 2020

926

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