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Materials Chemistry

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Theoretical and Computational Chemistry

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Linus Johannissen

2 results in Authors: Linus Johannissen

Theoretical and Computational Chemistry

Chelator-based parameterization of the 12-6-4LJ molecular mechanics potential for more realistic metal ion-protein interactions

Paulius Kantakevičius, Calvin Mathiah, Linus Johannissen, Sam Hay

Version 1 posted 07 September 2021

292

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Materials Chemistry

A Machine Learning Model for the Prediction of Water Contact Angles on Solid Polymers

Jose Sena, Linus Johannissen, Jonny Blaker, Sam Hay

Version 1 posted 23 September 2024

109

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