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Why Monoamine Oxidase B Preferably Metabolizes <i>N</i>-Methylhistamine over Histamine: Evidence from the Multiscale Simulation of the Rate-Limiting Step by Aleksandra Maršavelski, Janez Mavri, Robert Vianello, Jernej Stare

Published 2022-02-01

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Optimized SQE atomic charges for peptides accessible via a web application by Ondřej Schindler, Tomáš Raček, Aleksandra Maršavelski, Jaroslav Koča, Karel Berka, Radka Svobodová

Published 2021-06-01

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Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase by Aleksandra Maršavelski, Dušan Petrović, Paul Bauer, Robert Vianello, Shina Caroline Lynn Kamerlin

Published 2018-04-01

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Correction to: Optimized SQE atomic charges for peptides accessible via a web application by Ondřej Schindler, Tomáš Raček, Aleksandra Maršavelski, Jaroslav Koča, Karel Berka, Radka Svobodová

Published 2021-07-01

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The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands. by Mojca Kržan, Robert Vianello, Aleksandra Maršavelski, Matej Repič, Maja Zakšek, Kristina Kotnik, Estera Fijan, Janez Mavri

Published 2016-01-01

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